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Ahmad VU, Khaliq-uz-Zaman SM, Shameel S, Perveen S, Ali Z
Steroidal saponins from Asparagus dumosus
Phytochemistry 50(3) (1998)
481-484
|
a-L-Rhap-(1-4)-+
|
a-L-Rhap-(1-2)-b-D-Glcp-(1-3)-Subst
Subst = vespertiline = SMILES C[C@@H]4C(=O)OC5CC3C2C/C=C\1C{3}C(O)CC[C@]1(C)C2CC[C@]3(C)C45 |
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Asparagus dumosus
(Ancestor NCBI TaxID 4685,
species name lookup)
Taxonomic group: plant / Streptophyta
(Phylum: Streptophyta)
Organ / tissue: whole plant
The structure was elucidated in this paperPublication DOI: 10.1016/S0031-9422(98)00566-4Journal NLM ID: 0151434Publisher: Elsevier
Institutions: H.E.J. Research Institute of Chemistry, University of Karachi, Karachi, Pakistan
A new steroidal saponin, dumoside, characterized as (20S)-3β,16β- dihydroxy pregn-5-ene-22-carboxylic acid (22,16)-lactone-3-O-β- chacotrioside, was isolated from the whole plant of Asparagus dumosus Baker and the structure was deduced from spectral data. In addition to dumoside three more steroidal saponins characterized as 3β-dihydroxy pregn-5,16- dien-20-one 3-O-β-chacotrioside, 3β,22α,26-trihydroxyfurost-5-ene-3-O-β- chacotrioside-26-O-β-D-glucopyranoside and its corresponding 22α-O methoxy analogue were also isolated for the first time from this source. The structures have been identified with the help of FAB-MS, 1H NMR, 13C NMR and extensive 2D NMR spectroscopy, as well as comparison with reported spectroscopic data.
glycoside, steroidal saponins, Liliaceae, whole plant, Asparagus dumosus, Dumoside
Structure type: oligomer ; 797 [M-H]-
C
40H
62O
16Location inside paper: p. 482, Scheme, compound 1, table 1, table 2
Trivial name: dumoside
Compound class: triterpenoid glycoside
Contained glycoepitopes: IEDB_136105,IEDB_142488,IEDB_146664,IEDB_225177,IEDB_885823,IEDB_983931,SB_192
Methods: 13C NMR, 1H NMR, IR, FAB-MS, TLC, acid hydrolysis, HPLC, extraction, optical rotation measurement, HMBC, HETEROCOSY, melting poind determination
Related record ID(s): 63503, 63504, 63505
NCBI Taxonomy refs (TaxIDs): 4685
Show glycosyltransferases
NMR conditions: in CD3OD
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16 C17 C18 C19 C20 C21 C22
3,2 aLRhap 102.29 72.47 72.23 73.80 69.79 17.87
3,4 aLRhap 103.06 72.47 72.28 74.03 70.78 17.97
3 bDGlcp 100.54 80.32 79.60 79.38 78.09 62.10
Subst 38.56 30.74 79.32 39.54 142.06 122.38 33.01 32.64 51.78 38.04 21.52 39.09 42.57 55.90 34.05 84.77 60.13 14.02 19.81 37.54 18.10 183.99
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19 H20 H21 H22
3,2 aLRhap 5.20 ? ? ? ? ?
3,4 aLRhap 4.83 ? ? ? ? ?
3 bDGlcp 4.49 ? ? ? ? ?
Subst ? ? 3.40 ? - 5.38 ? ? ? - ? ? - ? ? 5.01 ? 0.76 1.05 2.58 1.29 -
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6 C7/H7 C8/H8 C9/H9 C10/H10 C11/H11 C12/H12 C13/H13 C14/H14 C15/H15 C16/H16 C17/H17 C18/H18 C19/H19 C20/H20 C21/H21 C22/H22
3,2 aLRhap 102.29/5.20 72.47/? 72.23/? 73.80/? 69.79/? 17.87/?
3,4 aLRhap 103.06/4.83 72.47/? 72.28/? 74.03/? 70.78/? 17.97/?
3 bDGlcp 100.54/4.49 80.32/? 79.60/? 79.38/? 78.09/? 62.10/?
Subst 38.56/? 30.74/? 79.32/3.40 39.54/? 122.38/5.38 33.01/? 32.64/? 51.78/? 21.52/? 39.09/? 55.90/? 34.05/? 84.77/5.01 60.13/? 14.02/0.76 19.81/1.05 37.54/2.58 18.10/1.29
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 | H7 | H8 | H9 | H10 | H11 | H12 | H13 | H14 | H15 | H16 | H17 | H18 | H19 | H20 | H21 | H22 |
|---|
| 3,2 | aLRhap | 5.20 | ? | ? | ? | ? | ? | |
| 3,4 | aLRhap | 4.83 | ? | ? | ? | ? | ? | |
| 3 | bDGlcp | 4.49 | ? | ? | ? | ? | ? | |
| | Subst | ? | ? | 3.40 | ? |
| 5.38 | ? | ? | ? |
| ? | ? |
| ? | ? | 5.01 | ? | 0.76 | 1.05 | 2.58 | 1.29 |
|
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 | C7 | C8 | C9 | C10 | C11 | C12 | C13 | C14 | C15 | C16 | C17 | C18 | C19 | C20 | C21 | C22 |
|---|
| 3,2 | aLRhap | 102.29 | 72.47 | 72.23 | 73.80 | 69.79 | 17.87 | |
| 3,4 | aLRhap | 103.06 | 72.47 | 72.28 | 74.03 | 70.78 | 17.97 | |
| 3 | bDGlcp | 100.54 | 80.32 | 79.60 | 79.38 | 78.09 | 62.10 | |
| | Subst | 38.56 | 30.74 | 79.32 | 39.54 | 142.06 | 122.38 | 33.01 | 32.64 | 51.78 | 38.04 | 21.52 | 39.09 | 42.57 | 55.90 | 34.05 | 84.77 | 60.13 | 14.02 | 19.81 | 37.54 | 18.10 | 183.99 |
|
There is only one chemically distinct structure:
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Ahmad VU, Khaliq-uz-Zaman SM, Shameel S, Perveen S, Ali Z
Steroidal saponins from Asparagus dumosus
Phytochemistry 50(3) (1998)
481-484
|
a-L-Rhap-(1-4)-+
|
a-L-Rhap-(1-2)-b-D-Glcp-(1-3)-Subst
Subst = pregna-5,16-dien-3β-ol-20-one = SMILES O{3}[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)C(C(C)=O)=CC[C@@]4([H])[C@]3([H])CC=C2C1 |
Show graphically |
Asparagus dumosus
(Ancestor NCBI TaxID 4685,
species name lookup)
Taxonomic group: plant / Streptophyta
(Phylum: Streptophyta)
Organ / tissue: whole plant
The structure was elucidated in this paperPublication DOI: 10.1016/S0031-9422(98)00566-4Journal NLM ID: 0151434Publisher: Elsevier
Institutions: H.E.J. Research Institute of Chemistry, University of Karachi, Karachi, Pakistan
A new steroidal saponin, dumoside, characterized as (20S)-3β,16β- dihydroxy pregn-5-ene-22-carboxylic acid (22,16)-lactone-3-O-β- chacotrioside, was isolated from the whole plant of Asparagus dumosus Baker and the structure was deduced from spectral data. In addition to dumoside three more steroidal saponins characterized as 3β-dihydroxy pregn-5,16- dien-20-one 3-O-β-chacotrioside, 3β,22α,26-trihydroxyfurost-5-ene-3-O-β- chacotrioside-26-O-β-D-glucopyranoside and its corresponding 22α-O methoxy analogue were also isolated for the first time from this source. The structures have been identified with the help of FAB-MS, 1H NMR, 13C NMR and extensive 2D NMR spectroscopy, as well as comparison with reported spectroscopic data.
glycoside, steroidal saponins, Liliaceae, whole plant, Asparagus dumosus, Dumoside
Structure type: oligomer
Location inside paper: p. 482, Scheme, compound 2
Compound class: saponin glycoside, triterpenoid glycoside
Contained glycoepitopes: IEDB_136105,IEDB_142488,IEDB_146664,IEDB_225177,IEDB_885823,IEDB_983931,SB_192
Methods: 13C NMR, 1H NMR, IR, FAB-MS, TLC, acid hydrolysis, HPLC, extraction, optical rotation measurement, HMBC, HETEROCOSY, melting poind determination
Related record ID(s): 62179, 63504, 63505, 64107
NCBI Taxonomy refs (TaxIDs): 4685Reference(s) to other database(s): CCSD:
1134, CBank-STR:6374
Show glycosyltransferases
There is only one chemically distinct structure:
Expand this record
Collapse this record
Ahmad VU, Khaliq-uz-Zaman SM, Shameel S, Perveen S, Ali Z
Steroidal saponins from Asparagus dumosus
Phytochemistry 50(3) (1998)
481-484
|
b-D-Glcp-(1-26)-+
|
a-L-Rhap-(1-4)-+ |
| |
a-L-Rhap-(1-2)-b-D-Glcp-(1-3)-Subst
Subst = furost-5-ene-3β,22,26-triol = SMILES C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC{3}[C@@H](C5)O)C)C)O{22}C1(CCC(C){26}[CH2]O)O |
Show graphically |
Asparagus dumosus
(Ancestor NCBI TaxID 4685,
species name lookup)
Taxonomic group: plant / Streptophyta
(Phylum: Streptophyta)
Organ / tissue: whole plant
The structure was elucidated in this paperPublication DOI: 10.1016/S0031-9422(98)00566-4Journal NLM ID: 0151434Publisher: Elsevier
Institutions: H.E.J. Research Institute of Chemistry, University of Karachi, Karachi, Pakistan
A new steroidal saponin, dumoside, characterized as (20S)-3β,16β- dihydroxy pregn-5-ene-22-carboxylic acid (22,16)-lactone-3-O-β- chacotrioside, was isolated from the whole plant of Asparagus dumosus Baker and the structure was deduced from spectral data. In addition to dumoside three more steroidal saponins characterized as 3β-dihydroxy pregn-5,16- dien-20-one 3-O-β-chacotrioside, 3β,22α,26-trihydroxyfurost-5-ene-3-O-β- chacotrioside-26-O-β-D-glucopyranoside and its corresponding 22α-O methoxy analogue were also isolated for the first time from this source. The structures have been identified with the help of FAB-MS, 1H NMR, 13C NMR and extensive 2D NMR spectroscopy, as well as comparison with reported spectroscopic data.
glycoside, steroidal saponins, Liliaceae, whole plant, Asparagus dumosus, Dumoside
Structure type: oligomer
Location inside paper: p. 482, Scheme, compound 3, table 1, table 2
Trivial name: proto-dioscin
Compound class: saponin glycoside, triterpenoid glycoside
Contained glycoepitopes: IEDB_136105,IEDB_142488,IEDB_146664,IEDB_225177,IEDB_885823,IEDB_983931,SB_192
Methods: 13C NMR, 1H NMR, IR, FAB-MS, TLC, acid hydrolysis, HPLC, extraction, optical rotation measurement, HMBC, HETEROCOSY, melting poind determination
Related record ID(s): 62179, 63503, 63505, 64108
NCBI Taxonomy refs (TaxIDs): 4685Reference(s) to other database(s): CCSD:
8884, CBank-STR:10003
Show glycosyltransferases
NMR conditions: in CD3OD
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16 C17 C18 C19 C20 C21 C22 C23 C24 C25 C26 C27 C28 C29
3,2 aLRhap 102.27 72.45 72.21 73.78 69.78 17.89
3,4 aLRhap 103.03 72.45 72.21 74.00 70.75 17.99
3 bDGlcp 100.54 80.22 76.58 79.41 78.06 62.91
26 bDGlcp 104.60 75.21 78.20 71.81 77.89 62.07
Subst 38.58 30.77 79.33 39.57 141.95 122.57 141.95 122.57 32.78 32.81 51.76 38.07 21.98 40.87 41.85 57.77 33.20 82.47 65.05 16.82 19.87 41.20 16.08 114.05 36.98 29.02 35.02 76.03 17.31
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19 H20 H21 H22 H23 H24 H25 H26 H27
3,2 aLRhap 5.19 ? ? ? ? 1.22-1.24
3,4 aLRhap 4.82 ? ? ? ? 1.22-1.24
3 bDGlcp 4.48 ? ? ? ? ?
26 bDGlcp
Subst ? ? 3.37 ? ? 5.36 ? ? ? - ? ? - ? ? 4.33 ? 0.82 1.04 2.16 0.99 - ? ? ? ? 0.93
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6 C7/H7 C8/H8 C9/H9 C10/H10 C11/H11 C12/H12 C13/H13 C14/H14 C15/H15 C16/H16 C17/H17 C18/H18 C19/H19 C20/H20 C21/H21 C22/H22 C23/H23 C24/H24 C25/H25 C26/H26 C27/H27
3,2 aLRhap 102.27/5.19 72.45/? 72.21/? 73.78/? 69.78/? 17.89/1.22-1.24
3,4 aLRhap 103.03/4.82 72.45/? 72.21/? 74.00/? 70.75/? 17.99/1.22-1.24
3 bDGlcp 100.54/4.48 80.22/? 76.58/? 79.41/? 78.06/? 62.91/?
26 bDGlcp NMR TSV error 2: unequal length of 13C and 1H datasets
Subst NMR TSV error 2: unequal length of 13C and 1H datasets
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 | H7 | H8 | H9 | H10 | H11 | H12 | H13 | H14 | H15 | H16 | H17 | H18 | H19 | H20 | H21 | H22 | H23 | H24 | H25 | H26 | H27 |
|---|
| 3,2 | aLRhap | 5.19 | ? | ? | ? | ? | 1.22
1.24 | |
| 3,4 | aLRhap | 4.82 | ? | ? | ? | ? | 1.22
1.24 | |
| 3 | bDGlcp | 4.48 | ? | ? | ? | ? | ? | |
| 26 | bDGlcp | |
| | Subst | ? | ? | 3.37 | ? | ? | 5.36 | ? | ? | ? |
| ? | ? |
| ? | ? | 4.33 | ? | 0.82 | 1.04 | 2.16 | 0.99 |
| ? | ? | ? | ? | 0.93 |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 | C7 | C8 | C9 | C10 | C11 | C12 | C13 | C14 | C15 | C16 | C17 | C18 | C19 | C20 | C21 | C22 | C23 | C24 | C25 | C26 | C27 | C28 | C29 |
|---|
| 3,2 | aLRhap | 102.27 | 72.45 | 72.21 | 73.78 | 69.78 | 17.89 | |
| 3,4 | aLRhap | 103.03 | 72.45 | 72.21 | 74.00 | 70.75 | 17.99 | |
| 3 | bDGlcp | 100.54 | 80.22 | 76.58 | 79.41 | 78.06 | 62.91 | |
| 26 | bDGlcp | 104.60 | 75.21 | 78.20 | 71.81 | 77.89 | 62.07 | |
| | Subst | 38.58 | 30.77 | 79.33 | 39.57 | 141.95 | 122.57 | 141.95 | 122.57 | 32.78 | 32.81 | 51.76 | 38.07 | 21.98 | 40.87 | 41.85 | 57.77 | 33.20 | 82.47 | 65.05 | 16.82 | 19.87 | 41.20 | 16.08 | 114.05 | 36.98 | 29.02 | 35.02 | 76.03 | 17.31 |
|
There is only one chemically distinct structure:
Expand this record
Collapse this record
Ahmad VU, Khaliq-uz-Zaman SM, Shameel S, Perveen S, Ali Z
Steroidal saponins from Asparagus dumosus
Phytochemistry 50(3) (1998)
481-484
|
b-D-Glcp-(1-26)-+
|
a-L-Rhap-(1-4)-+ |
| |
a-L-Rhap-(1-2)-b-D-Glcp-(1-3)-Subst22Me
Subst = furost-5-ene-3β,22,26-triol = SMILES C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC{3}[C@@H](C5)O)C)C)O{22}C1(CCC(C){26}[CH2]O)O |
Show graphically |
Asparagus dumosus
(Ancestor NCBI TaxID 4685,
species name lookup)
Taxonomic group: plant / Streptophyta
(Phylum: Streptophyta)
Organ / tissue: whole plant
The structure was elucidated in this paperPublication DOI: 10.1016/S0031-9422(98)00566-4Journal NLM ID: 0151434Publisher: Elsevier
Institutions: H.E.J. Research Institute of Chemistry, University of Karachi, Karachi, Pakistan
A new steroidal saponin, dumoside, characterized as (20S)-3β,16β- dihydroxy pregn-5-ene-22-carboxylic acid (22,16)-lactone-3-O-β- chacotrioside, was isolated from the whole plant of Asparagus dumosus Baker and the structure was deduced from spectral data. In addition to dumoside three more steroidal saponins characterized as 3β-dihydroxy pregn-5,16- dien-20-one 3-O-β-chacotrioside, 3β,22α,26-trihydroxyfurost-5-ene-3-O-β- chacotrioside-26-O-β-D-glucopyranoside and its corresponding 22α-O methoxy analogue were also isolated for the first time from this source. The structures have been identified with the help of FAB-MS, 1H NMR, 13C NMR and extensive 2D NMR spectroscopy, as well as comparison with reported spectroscopic data.
glycoside, steroidal saponins, Liliaceae, whole plant, Asparagus dumosus, Dumoside
Structure type: oligomer
Location inside paper: p. 482, Scheme, compound 4
Compound class: saponin glycoside, triterpenoid glycoside
Contained glycoepitopes: IEDB_136105,IEDB_142488,IEDB_146664,IEDB_225177,IEDB_885823,IEDB_983931,SB_192
Methods: 13C NMR, 1H NMR, IR, FAB-MS, TLC, acid hydrolysis, HPLC, extraction, optical rotation measurement, HMBC, HETEROCOSY, melting poind determination
Related record ID(s): 62179, 63503, 63504, 64109
NCBI Taxonomy refs (TaxIDs): 4685
Show glycosyltransferases
NMR conditions: in CD3OD
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12 C13 C14 C15 C16 C17 C18 C19 C20 C21 C22 C23 C24 C25 C26 C27
3,2 aLRhap 102.29 72.47 72.24 73.80 69.79 17.89
3,4 aLRhap 103.08 72.45 72.21 74.03 70.77 17.99
3 bDGlcp 100.57 80.30 76.58 79.43 78.10 62.95
22 Me
26 bDGlcp 103.38 75.18 78.23 71.85 77.97 62.08
Subst 38.58 30.77 79.33 39.57 141.99 122.59 32.82 32.35 51.78 38.07 21.97 40.85 41.86 57.77 33.19 82.59 65.05 16.81 19.84 41.22 16.04 112.34 31.40 28.83 35.02 76.60 17.87
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6 H7 H8 H9 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19 H20 H21 H22 H23 H24 H25 H26 H27
3,2 aLRhap 5.19 ? ? ? ? 1.22-1.24
3,4 aLRhap 4.82 ? ? ? ? 1.22-1.24
3 bDGlcp 4.48 ? ? ? ? ?
22 Me
26 bDGlcp 4.26 ? ? ? ? ?
Subst ? ? 3.37 ? ? 5.36 ? ? ? - ? ? - ? ? 4.33 ? 0.83 1.04 2.16 0.97 - ? ? ? ? 0.93
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6 C7/H7 C8/H8 C9/H9 C10/H10 C11/H11 C12/H12 C13/H13 C14/H14 C15/H15 C16/H16 C17/H17 C18/H18 C19/H19 C20/H20 C21/H21 C22/H22 C23/H23 C24/H24 C25/H25 C26/H26 C27/H27
3,2 aLRhap 102.29/5.19 72.47/? 72.24/? 73.80/? 69.79/? 17.89/1.22-1.24
3,4 aLRhap 103.08/4.82 72.45/? 72.21/? 74.03/? 70.77/? 17.99/1.22-1.24
3 bDGlcp 100.57/4.48 80.30/? 76.58/? 79.43/? 78.10/? 62.95/?
22 Me
26 bDGlcp 103.38/4.26 75.18/? 78.23/? 71.85/? 77.97/? 62.08/?
Subst 38.58/? 30.77/? 79.33/3.37 39.57/? 141.99/? 122.59/5.36 32.82/? 32.35/? 51.78/? 21.97/? 40.85/? 57.77/? 33.19/? 82.59/4.33 65.05/? 16.81/0.83 19.84/1.04 41.22/2.16 16.04/0.97 31.40/? 28.83/? 35.02/? 76.60/? 17.87/0.93
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 | H7 | H8 | H9 | H10 | H11 | H12 | H13 | H14 | H15 | H16 | H17 | H18 | H19 | H20 | H21 | H22 | H23 | H24 | H25 | H26 | H27 |
|---|
| 3,2 | aLRhap | 5.19 | ? | ? | ? | ? | 1.22
1.24 | |
| 3,4 | aLRhap | 4.82 | ? | ? | ? | ? | 1.22
1.24 | |
| 3 | bDGlcp | 4.48 | ? | ? | ? | ? | ? | |
| 22 | Me | |
| 26 | bDGlcp | 4.26 | ? | ? | ? | ? | ? | |
| | Subst | ? | ? | 3.37 | ? | ? | 5.36 | ? | ? | ? |
| ? | ? |
| ? | ? | 4.33 | ? | 0.83 | 1.04 | 2.16 | 0.97 |
| ? | ? | ? | ? | 0.93 |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 | C7 | C8 | C9 | C10 | C11 | C12 | C13 | C14 | C15 | C16 | C17 | C18 | C19 | C20 | C21 | C22 | C23 | C24 | C25 | C26 | C27 |
|---|
| 3,2 | aLRhap | 102.29 | 72.47 | 72.24 | 73.80 | 69.79 | 17.89 | |
| 3,4 | aLRhap | 103.08 | 72.45 | 72.21 | 74.03 | 70.77 | 17.99 | |
| 3 | bDGlcp | 100.57 | 80.30 | 76.58 | 79.43 | 78.10 | 62.95 | |
| 22 | Me | |
| 26 | bDGlcp | 103.38 | 75.18 | 78.23 | 71.85 | 77.97 | 62.08 | |
| | Subst | 38.58 | 30.77 | 79.33 | 39.57 | 141.99 | 122.59 | 32.82 | 32.35 | 51.78 | 38.07 | 21.97 | 40.85 | 41.86 | 57.77 | 33.19 | 82.59 | 65.05 | 16.81 | 19.84 | 41.22 | 16.04 | 112.34 | 31.40 | 28.83 | 35.02 | 76.60 | 17.87 |
|
There is only one chemically distinct structure:
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