QUERCETIN-3-O-BETA-D-GALACTOSIDE-2''-GALLATE

Structure

2D structure of QUERCETIN-3-O-BETA-D-GALACTOSIDE-2''-GALLATE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 6453359

Names and identifiers

Name

QUERCETIN-3-O-BETA-D-GALACTOSIDE-2''-GALLATE

IUPAC name

(2S,3R,4S,5R,6R)-2-((2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl 3,4,5-trihydroxybenzoate

SMILES

C1=CC(=C(C=C1C3=C(C(=O)C2=C(C=C(C=C2O3)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)OC(C5=CC(=C(C(=C5)O)O)O)=O)O)O

General information

Molecular formula

C28H24O16

Molecular weight

616.48 g/mol

Monoisotopic mass

616.1064 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Euphorbia helioscopia L. subsp. helioscopia flower -
Pohl, R., Janistyn, B., Nahrstedt, A. (1975). Flavonol glycosides from Euphorbia helioscopia, E. stricta, E. verrucosa and E. dulcis. Planta Med, 27, 301 doi:10.1055/s-0028-1097806