GYPSOGENIN-3-O-GLUCURONIDE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 21626375
Name
GYPSOGENIN-3-O-GLUCURONIDE
IUPAC name
(4aS,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-9-formyl-2,2,6a,6b,9,12a-hexamethyl-10-(((2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl)oxy)-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
SMILES
C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)OC)O)O)O
Molecular formula
C37H56O10
Molecular weight
660.85 g/mol
Monoisotopic mass
660.3873 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Silene vulgaris (Moench) Garcke subsp. vulgaris | root | - |
Bouguet-bonnet, S., Rochd, M., Mutzenhardt, P., Henry, M. (2002). Total assignment of 1-h and 13-c nmr spectra of three tirterpene saponins from roots of Silene vulgari (Moench) Garcke. Magn Reson Chem, 40(9), 618-621 doi:10.1002/mrc.1069
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