MEDICOSIDE-J
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 14779974
Name
MEDICOSIDE-J
IUPAC name
8a-(((3-((3,4-dihydroxy-6-methyl-5-((3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)carbonyl)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
SMILES
CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)C)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)O)O
Molecular formula
C52H82O23
Molecular weight
1,075.21 g/mol
Monoisotopic mass
1,074.5247 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Medicago sativa L. | root | 104 ppm |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|