MEDICOSIDE-I
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 74177087
Name
MEDICOSIDE-I
IUPAC name
3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl 10-((3-((4,5-dihydroxy-6-(hydroxymethyl)-3-((3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylate
SMILES
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(CO8)O)O)O)C)C)C2C1)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O)C
Molecular formula
C52H84O22
Molecular weight
1,061.22 g/mol
Monoisotopic mass
1,060.5454 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Medicago sativa L. | root | 231 ppm |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|