GOSSYPETIN-3-GLUCOSIDE-8-GLUCURONIDE

Structure

2D structure of GOSSYPETIN-3-GLUCOSIDE-8-GLUCURONIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js.

Names and identifiers

Name

GOSSYPETIN-3-GLUCOSIDE-8-GLUCURONIDE

IUPAC name

(2S,3S,4S,5R,6S)-6-((2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-8-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

SMILES

C1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O)O)O

General information

Molecular formula

C27H28O19

Molecular weight

656.50 g/mol

Monoisotopic mass

656.1225 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Malva sylvestris L. leaf -
Bisset, N.G., ed. 1994. Herbal Drugs and Phytopharmaceuticals. CRC Press. Boca Raton, FL. 566 pp.