MEDICAGENIC-ACID-3-O-BETA-D-GLUCOSIDE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 162084
Name
MEDICAGENIC-ACID-3-O-BETA-D-GLUCOSIDE
IUPAC name
(2S,3R,6aR,6bS,8aS,12aR,14aR,14bR)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,12a,14,14a,14b-octadecahydropicene-4,8a(1H)-dicarboxylic acid
SMILES
C[C@@]12CCC3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@@H]([C@@H](C3(C)C(=O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C
Molecular formula
C36H56O11
Molecular weight
664.83 g/mol
Monoisotopic mass
664.3823 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Medicago sativa L. | root | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|