- Compound ID: 27812
|
b-D-Xylp-(1-6)-b-D-Glcp-(1-3a)-Subst
Subst = (+)-lyoniresinol = SMILES O{6}C1=C(OC)C=C2C[C@@H]({152}CO)[C@H]({153}CO)[C@@H](C3=CC(OC)={54}C(O)C(OC)=C3)C2=C1OC |
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Structure type: oligomer
; 713 [M-H]-
C33H45O17
Trivial name: alangilignoside A
Compound class: lignan glycoside
- Compound ID: 27813
|
b-D-Glcp-(1-3a)-Subst
Subst = lyoniresinol = SMILES O{6}C1=C(OC)C=C2CC({152}CO)C({153}CO)C(C3=CC(OC)={54}C(O)C(OC)=C3)C2=C1OC |
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Structure type: monomer
Trivial name: alangilignoside
Compound class: lignan glycoside
- Compound ID: 27814
|
b-D-Glcp-(1-4)-Subst
Subst = benzofuran type neolignan = SMILES O{4}C1=C(OC)C=C([C@H]([C@H]2{9}CO)OC3=C2C=C(/C=C/{59}CO)C(C)=C3OC)C=C1OC |
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Structure type: monomer
C27H34O12
Trivial name: alangilignoside B
Compound class: lignan glycoside
- Compound ID: 27815
|
b-D-Glcp-(1-9)-Subst
Subst = (+)-5,5'-dimethoxy-lariciresinol = SMILES O{4}C1=C(C=C(C=C1OC)[C@@H]2[C@@H]({9}CO)[C@@H](CC3=CC(OC)={54}C(C(OC)=C3)O)CO2)OC |
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Structure type: monomer
Trivial name: alangilignoside C, (+)-5,5'-dimethoxy-9-O-(β-D-glucopyranosyl)lariciresinol
Compound class: lignan glycoside
- Compound ID: 27816
|
b-D-Glcp-(1-9)-Subst
Subst = (+)-5-methoxy-lariciresinol = SMILES O{4}C1=C(C=C(C=C1OC)[C@@H]2[C@@H]({9}CO)[C@@H](CC3=CC(OC)={54}C(C=C3)O)CO2)OC |
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Structure type: monomer
Trivial name: alangilignoside D
Compound class: lignan glycoside
- Compound ID: 27936
|
b-D-Glcp-(1-9)-Subst
Subst = guaiacylglycerol = SMILES O{7}C(C1=CC={4}C(O)C(OC)=C1){8}C(O){9}CO |
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Structure type: monomer
Trivial name: guaiacylglycerol glucoside
Compound class: saponin glycoside
- Compound ID: 27937
|
b-D-Glcp-(1-8)-Subst
Subst = guaiacylglycerol = SMILES O{7}C(C1=CC={4}C(O)C(OC)=C1){8}C(O){9}CO |
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Structure type: monomer
Trivial name: guaiacylglycerol glucoside
Compound class: saponin glycoside
- Compound ID: 27938
|
b-D-Glcp-(1-9)-Subst
Subst = threo-syringoylglycerol = SMILES O{7}[C@H](C1=CC(OC)={4}C(O)C(OC)=C1){8}[C@H](O){9}CO |
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Structure type: monomer
; 405.1417 [M-H]-
C17H26O11
Trivial name: syringoylglycerol glucoside
Compound class: saponin glycoside
- Compound ID: 27939
|
b-D-Glcp-(1-8)-Subst
Subst = threo-syringoylglycerol = SMILES O{7}[C@H](C1=CC(OC)={4}C(O)C(OC)=C1){8}[C@H](O){9}CO |
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Structure type: monomer
; 405.1363 [M-H]-
C17H26O11
Trivial name: syringoylglycerol glucoside
Compound class: saponin glycoside
- Compound ID: 26100
Structure type: oligomer
Trivial name: benzyl β-primeveroside
Compound class: saponin glycoside, glycoside
Reference(s) to other database(s): CCSD:
34652, CBank-STR:4010
- Compound ID: 27940
Structure type: oligomer
; 533.1858 [M-H]-
C23H34O14
Compound class: saponin glycoside
- Compound ID: 27941
Structure type: oligomer
C24H36O15
Compound class: saponin glycoside
- Compound ID: 27942
|
b-D-Xylp-(1-6)-b-D-Glcp-(1-7)-Subst
Subst = salicyl alcohol = SMILES O{2}C1=CC=CC=C1{7}CO |
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Structure type: oligomer
; 417.1413 [M-H]-
C18H25O11
Compound class: saponin glycoside
- Compound ID: 27943
|
b-D-Glcp-(1-2)-Subst
Subst = salicyl alcohol = SMILES O{2}C1=CC=CC=C1{7}CO |
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Structure type: oligomer
Trivial name: salicin
Compound class: saponin glycoside
- Compound ID: 27944
|
b-D-Glcp-(1-2)-+
|
b-D-Glcp-(1-2')-Subst
|
b-D-Glcp-(1-6)-+
Subst = 2,6-dihydroxybenzoic acid 2'-hydroxybenzyl ester = SMILES O=C(OCC1=CC=CC={52}C1O)C2={2}C(O)C=CC={6}C2O |
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Structure type: oligomer
; 745.2153 [M-H]-
C32H42O20
Compound class: saponin glycoside
- Compound ID: 27945
|
b-D-Glcp-(1-6)-+
|
b-D-Glcp-(1-2')-Subst
Subst = 2,6-dihydroxybenzoic acid 2'-hydroxybenzyl ester = SMILES O=C(OCC1=CC=CC={52}C1O)C2={2}C(O)C=CC={6}C2O |
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Structure type: oligomer
Trivial name: henryoside
Compound class: saponin glycoside, glycoside, phenolic glycoside
- Compound ID: 27946
|
b-D-Apif-(1-2)-b-D-Glcp-(1-4)-3,4,8HOPhet
3,4,8HOPhet = phenylethane-3,4,8-triol |
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Structure type: oligomer
; 447.1511 [M-H]-
C19H28O12
Compound class: saponin glycoside
- Compound ID: 27947
|
b-D-Glcp-(1-2)-+
|
b-D-Glcp-(1-1)-Subst
Subst = catechol = SMILES O{1}C1=CC=CC={2}C1O |
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Structure type: oligomer
; 433.1330 [M-H]-
C18H26O12
Compound class: saponin glycoside
- Compound ID: 29194
|
b-D-Glcp-(1-2)-Subst
Subst = salicyl alcohol = SMILES O{2}C1=CC=CC=C1{7}CO |
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Structure type: monomer
Trivial name: salicin
Compound class: glycoside, phenolic glycoside
- Compound ID: 29195
|
b-D-Glcp-(1-2)-+
|
b-D-Glcp-(1-2')-Subst
Subst = 2,6-dihydroxybenzoic acid 2'-hydroxybenzyl ester = SMILES O=C(OCC1=CC=CC={52}C1O)C2={2}C(O)C=CC={6}C2O |
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Structure type: oligomer
Trivial name: henryoside
Compound class: glycoside
- Compound ID: 27833
|
b-D-Glcp-(1-1)-Subst
Subst = loganic acid aglycon = SMILES O={11}C(C1=CO{1}[C@@H](O)[C@@]2([H])[C@]1([H])C{7}[C@H](O)[C@@H]2C)O |
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Structure type: monomer
Trivial name: loganic acid
Compound class: saponin glycoside, glycoside, iridoid glycoside
- Compound ID: 29196
|
b-D-Xylp-(1-6)-b-D-Glcp-(1-2)-Subst
Subst = 1,2,12-trihydroxycalamenene = SMILES CC1={2}C(O){1}C(O)=C(C(CCC2C({12}CO)C)C)C2=C1 |
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Structure type: oligomer
; 543.2416, 543.2426 [M-H]-
C26H40O12
Trivial name: alangicadinoside F, alangicadinoside G
Compound class: glycoside
- Compound ID: 29197
|
b-D-Xylp-(1-6)-b-D-Glcp-(1-12)-Subst2Me
Subst = 1,2,12-trihydroxycalamenene = SMILES CC1={2}C(O){1}C(O)=C(C(CCC2C({12}CO)C)C)C2=C1 |
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Structure type: oligomer
; 557.2596, 557.2601 [M-H]-
C27H41O12
Trivial name: alangicadinoside H, alangicadinoside I
Compound class: glycoside
- Compound ID: 29198
|
b-D-Glcp-(1-8)-Subst1-(4'-8)-Subst2
Subst1 = (+)-simulanol = SMILES COc3cc([C@H]2Oc1c(OC)cc(/C=C/{11}CO)cc1[C@@H]2{8}CO)cc(OC){54}c3O;
Subst2 = erythro-guaiacylglycerol = SMILES O{7}[C@@H](C1=CC(OC)={4}C(O)C(OC)=C1){8}[C@H](O){9}CO |
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Structure type: monomer
; 745.2748 [M-H]-
C37H42O16
Trivial name: alangicadinoside A
Compound class: glycoside
- Compound ID: 29199
|
b-D-Glcp-(1-8)-Subst1-(4'-8)-Subst2
Subst1 = (+)-simulanol = SMILES COc3cc([C@H]2Oc1c(OC)cc(/C=C/{11}CO)cc1[C@@H]2{8}CO)cc(OC){54}c3O;
Subst2 = threo-guaiacylglycerol = SMILES COc1cc({7}[C@@H](O){8}[C@H](O){9}CO)cc{4}c1O |
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Structure type: monomer
; 745.2723 [M-H]-
C37H45O16
Trivial name: alangicadinoside B
Compound class: glycoside
- Compound ID: 29200
|
b-D-Glcp-(1-8)-Subst1-(4'-8)-Subst2
Subst1 = 5-methoxy-trans-dihydrodehydrodiconiferyl alcohol = SMILES COc3cc([C@H]2Oc1c(OC)cc(CC{11}CO)cc1[C@@H]2{8}CO)cc(OC){54}c3O;
Subst2 = erythro-guaiacylglycerol = SMILES O{7}[C@@H](C1=CC(OC)={4}C(O)C(OC)=C1){8}[C@H](O){9}CO |
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Structure type: monomer
; 747.2873 [M-H]-
C37H47O16
Trivial name: alangicadinoside C
Compound class: glycoside
- Compound ID: 29201
|
b-D-Glcp-(1-8)-Subst1-(4'-8)-Subst2
Subst1 = 5-methoxy-trans-dihydrodehydrodiconiferyl alcohol = SMILES COc3cc([C@H]2Oc1c(OC)cc(CC{11}CO)cc1[C@@H]2{8}CO)cc(OC){54}c3O;
Subst2 = threo-guaiacylglycerol = SMILES COc1cc({7}[C@@H](O){8}[C@H](O){9}CO)cc{4}c1O |
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Structure type: monomer
; 747.2836 [M-H]-
C37H47O16
Trivial name: alangicadinoside D
Compound class: glycoside
- Compound ID: 29202
|
b-D-Glcp2Ac3Ac4Ac6Ac-(1-8)-Subst1-11Ac-(4'-8)-Subst2-4Ac7Ac9Ac
Subst1 = (+)-simulanol = SMILES COc3cc([C@H]2Oc1c(OC)cc(/C=C/{11}CO)cc1[C@@H]2{8}CO)cc(OC){54}c3O;
Subst2 = erythro-guaiacylglycerol = SMILES O{7}[C@@H](C1=CC(OC)={4}C(O)C(OC)=C1){8}[C@H](O){9}CO |
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Structure type: monomer
; 1083 [M+H]+
Trivial name: alangicadinoside A octaacetate
Compound class: glycoside
Found 