3-O-(BETA-D-GLUCOPYRANOSYL-(1,2)-BETA-D-GLUCURONOPYRANOSYL)-SOYASAPOGENOL-B
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 162894791
Name
3-O-(BETA-D-GLUCOPYRANOSYL-(1,2)-BETA-D-GLUCURONOPYRANOSYL)-SOYASAPOGENOL-B
IUPAC name
(2R,3R,4R,5S,6S)-3,4-dihydroxy-6-(((3S,4S,4aR,6aR,6bS,8aR,9R,12aS,14aR,14bR)-9-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
SMILES
C1[C@]4([C@H]([C@@]([C@H](C1)O[C@@H]2[C@H]([C@@H]([C@H]([C@H](C(O)=O)O2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)O)O)O)(C)CO)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(C[C@H]7O)(C)C)C)C)C)C
Molecular formula
C42H68O14
Molecular weight
796.99 g/mol
Monoisotopic mass
796.4609 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Galega officinalis L. | aerial parts | 113 ppm |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|