VESCALAGIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 168165
Name
VESCALAGIN
IUPAC name
2,3,4,5,6,7,15,16,17,19,20,21,23,24,25,36-hexadecahydroxy-11a,29,30,30a-tetrahydro-11H,13H,27H-30,18,22-(epoxyethane[1,2,2]triyl)-26,29-methanodibenzo[h,o]dibenzo[7,8:9,10][1,5]dioxacycloundecino[3,2-b][1,6]dioxacycloheptadecine-9,13,27,32,34-pentaone
SMILES
C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O
Molecular formula
C41H26O26
Molecular weight
934.63 g/mol
Monoisotopic mass
934.0712 Da
Pathway:
Superclass:
Class:
Glycoside:
No
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Castanea sativa Mill. | - | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|