- Compound ID: 31113
|
a-L-Arap-(1-6)-b-D-Glcp-(1-17)-Subst
Subst = ascandroside aglycon = SMILES C[C@]12CCC(C=C1C=C[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3C=C{17}[C@H]4O)=O |
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Structure type: oligomer
; 601.2624 [M+Na]+
C30H42O11
Trivial name: ascandroside
Compound class: glycoside
- Compound ID: 31114
|
b-D-Glcp-(1-3)-Subst1-(1-3:2-2)-Subst
Subst = calotropagenin = SMILES C[C@]12CC[C@H]3[C@H]({14}[C@]1(CC[C@@H]2C4=CC(OC4)=O)O)CC[C@H]5C{3}[C@H]({2}[C@@H](C[C@]35C=O)O)O;
Subst1 = (2R,4S,6R)-6-methyldihydro-2H-pyran-2,3,3,4(4H)-tetraol = SMILES O{1}[C@@H]1O[C@H](C)C{3}[C@H](O){2}C1(O)O |
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Structure type: monomer
; 624.2244 [M+Na]+
C35H39NO9S
Compound class: glycoside
- Compound ID: 31121
|
Cin-(9-12)-+
|
b-D-Olip3Me-(1-4)-b-D-Digp3Me-(1-4)-b-D-Digp3Me-(1-3)-Subst
Subst = lineolon = SMILES CC([C@@H]1CC{14}[C@]2(O){8}[C@]3(O)CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])C{12}[C@@H](O)[C@]12C)=O |
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Structure type: oligomer
Compound class: glycoside, triterpenoid glycoside
- Compound ID: 31122
|
Cin-(9-12)-+
|
b-D-Olip3Me-(1-4)-b-D-Olip3Me-(1-4)-b-D-Digp3Me-(1-3)-Subst
Subst = lineolon = SMILES CC([C@@H]1CC{14}[C@]2(O){8}[C@]3(O)CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])C{12}[C@@H](O)[C@]12C)=O |
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Structure type: oligomer
; 949.4910 [M+Na]+
C51H74O15
Compound class: glycoside, triterpenoid glycoside
- Compound ID: 31123
|
Cin-(9-12)-+
|
b-Tyvp-(1-4)-b-D-Olip3Me-(1-4)-b-D-Digp3Me-(1-4)-b-D-Digp3Me-(1-3)-Subst
Subst = lineolon = SMILES CC([C@@H]1CC{14}[C@]2(O){8}[C@]3(O)CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])C{12}[C@@H](O)[C@]12C)=O |
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Structure type: oligomer
; 1109.5664 [M+Na]+
C58H86O19
Compound class: glycoside, triterpenoid glycoside
- Compound ID: 31124
|
Cin-(9-12)-+
|
b-D-Olip3Me-(1-4)-b-D-Olip3Me-(1-4)-b-D-Digp3Me-(1-4)-b-D-Digp3Me-(1-3)-Subst
Subst = lineolon = SMILES CC([C@@H]1CC{14}[C@]2(O){8}[C@]3(O)CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])C{12}[C@@H](O)[C@]12C)=O |
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Structure type: oligomer
; 1093.5717 [M+Na]+
C58H86O18
Compound class: glycoside, triterpenoid glycoside
- Compound ID: 31125
|
Cin-(9-12)-+
|
b-D-Digp3Me-(1-4)-b-D-Olip3Me-(1-4)-b-D-Digp3Me-(1-4)-b-D-Digp3Me-(1-3)-Subst
Subst = lineolon = SMILES CC([C@@H]1CC{14}[C@]2(O){8}[C@]3(O)CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])C{12}[C@@H](O)[C@]12C)=O |
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Structure type: oligomer
; 1093.5717
C58H86O18
Compound class: glycoside, triterpenoid glycoside
- Compound ID: 31126
|
Cin-(9-12)-+
|
b-D-Digp3Me-(1-4)-b-D-Olip3Me-(1-4)-b-D-Olip3Me-(1-4)-b-D-Digp3Me-(1-4)-b-D-Digp3Me-(1-3)-Subst
Subst = lineolon = SMILES CC([C@@H]1CC{14}[C@]2(O){8}[C@]3(O)CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])C{12}[C@@H](O)[C@]12C)=O |
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Structure type: oligomer
; 1237.6500 [M+Na]+
C65H96O21
Compound class: glycoside, triterpenoid glycoside
- Compound ID: 31127
|
Cin-(9-12)-+
|
b-D-Glcp-(1-4)-b-D-Digp3Me-(1-4)-b-D-Olip3Me-(1-4)-b-D-Olip3Me-(1-4)-b-D-Digp3Me-(1-4)-b-D-Digp3Me-(1-3)-Subst
Subst = lineolon = SMILES CC([C@@H]1CC{14}[C@]2(O){8}[C@]3(O)CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])C{12}[C@@H](O)[C@]12C)=O |
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Structure type: oligomer
; 1399.7025 [M+Na]+
C71H108O26
Compound class: glycoside, triterpenoid glycoside
- Compound ID: 31128
|
Cin-(9-12)-+
|
b-D-Glcp-(1-4)-b-D-Digp3Me-(1-4)-b-D-Digp-(1-4)-b-D-Olip-(1-4)-b-D-Digp3Me-(1-4)-b-D-Digp-(1-3)-Subst
Subst = lineolon = SMILES CC([C@@H]1CC{14}[C@]2(O){8}[C@]3(O)CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])C{12}[C@@H](O)[C@]12C)=O |
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Structure type: oligomer
; 1357.6566 [M+Na]+
C68H102O26
Compound class: glycoside, triterpenoid glycoside
- Compound ID: 31129
|
Cin-(9-12)-+
|
b-D-Glcp-(1-4)-b-D-Digp3Me-(1-4)-b-D-Digp-(1-4)-b-D-Olip-(1-4)-b-D-Digp3Me-(1-4)-b-D-Digp3Me-(1-3)-Subst
Subst = lineolon = SMILES CC([C@@H]1CC{14}[C@]2(O){8}[C@]3(O)CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])C{12}[C@@H](O)[C@]12C)=O |
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Structure type: oligomer
; 1371.6713
C69H104O26
Compound class: glycoside, triterpenoid glycoside
- Compound ID: 31130
|
Cin-(9-12)-+
|
b-D-Glcp-(1-4)-b-D-Glcp-(1-4)-b-D-Olip3Me-(1-4)-b-D-Digp3Me-(1-4)-b-D-Digp3Me-(1-3)-Subst
Subst = lineolon = SMILES CC([C@@H]1CC{14}[C@]2(O){8}[C@]3(O)CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])C{12}[C@@H](O)[C@]12C)=O |
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Structure type: oligomer
; 1273.5985 [M+Na]+
C63H94O25
Compound class: glycoside, triterpenoid glycoside
- Compound ID: 31131
|
Cin-(9-12)-+
|
b-D-Glcp-(1-4)-b-D-Glcp-(1-4)-b-D-Olip3Me-(1-4)-b-D-Olip3Me-(1-4)-b-D-Digp3Me-(1-4)-b-D-Digp3Me-(1-3)-Subst
Subst = lineolon = SMILES CC([C@@H]1CC{14}[C@]2(O){8}[C@]3(O)CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])C{12}[C@@H](O)[C@]12C)=O |
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Structure type: oligomer
; 1417.6780 [M+Na]+
C70H106O28
Compound class: glycoside, triterpenoid glycoside
- Compound ID: 31132
|
Cin-(9-12)-+
|
b-D-Glcp-(1-4)-b-D-Glcp-(1-4)-b-D-Digp3Me-(1-4)-b-D-Olip3Me-(1-4)-b-D-Olip3Me-(1-4)-b-D-Digp3Me-(1-4)-b-D-Digp3Me-(1-3)-Subst
Subst = lineolon = SMILES CC([C@@H]1CC{14}[C@]2(O){8}[C@]3(O)CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])C{12}[C@@H](O)[C@]12C)=O |
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Structure type: oligomer
; 1561.7535
C77H118O31
Compound class: glycoside, triterpenoid glycoside
- Compound ID: 31133
|
b-D-Olip3Me-(1-4)-b-D-Olip3Me-(1-4)-b-D-Digp3Me-(1-4)-b-D-Digp3Me-(1-3)-Subst
Subst = lineolon = SMILES CC([C@@H]1CC{14}[C@]2(O){8}[C@]3(O)CC=C4C{3}[C@@H](O)CC[C@]4(C)[C@@]3([H])C{12}[C@@H](O)[C@]12C)=O |
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Structure type: oligomer
; 963.5295 [M+Na]+
C49H80O17
Compound class: glycoside, triterpenoid glycoside
- Compound ID: 31134
|
b-D-Digp3Me-(1-4)-b-D-Olip-(1-4)-b-D-Olip-(1-4)-b-D-Digp3Me-(1-3)-Subst
Subst = pleurogenin = SMILES CC([C@H]1{16}[C@H](O){15}[C@@H](O){14}[C@@]2(O)[C@]1(C)CC[C@H]3{8}[C@@]2(O)CC[C@@H]4[C@]3(C)CC{3}[C@H](O)C4)=O |
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Structure type: oligomer
; 953.5088 [M+Na]+
C49H80O17
Compound class: glycoside, triterpenoid glycoside
- Compound ID: 31135
|
b-D-Glcp-(1-4)-b-D-Digp3Me-(1-4)-b-D-Olip-(1-4)-b-D-Olip-(1-4)-b-D-Digp3Me-(1-3)-Subst
Subst = pleurogenin = SMILES CC([C@H]1{16}[C@H](O){15}[C@@H](O){14}[C@@]2(O)[C@]1(C)CC[C@H]3{8}[C@@]2(O)CC[C@@H]4[C@]3(C)CC{3}[C@H](O)C4)=O |
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Structure type: oligomer
; 1115.5613 [M+Na]+
C53H88O23
Compound class: glycoside, triterpenoid glycoside
- Compound ID: 31136
|
b-D-Glcp-(1-4)-b-D-Glcp-(1-4)-b-D-Digp3Me-(1-4)-b-D-Digp3Me-(1-4)-b-D-Olip-(1-4)-b-D-Olip-(1-4)-b-D-Digp3Me-(1-3)-Subst
Subst = pleurogenin = SMILES CC([C@H]1{16}[C@H](O){15}[C@@H](O){14}[C@@]2(O)[C@]1(C)CC[C@H]3{8}[C@@]2(O)CC[C@@H]4[C@]3(C)CC{3}[C@H](O)C4)=O |
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Structure type: oligomer
; 1421.6929 [M+Na]+
C66H110O31
Compound class: glycoside, triterpenoid glycoside
Found 