QUERCETIN-3-O-BETA-(2''-GALLOYL)-GLUCOPYRANOSIDE

Structure

2D structure of QUERCETIN-3-O-BETA-(2''-GALLOYL)-GLUCOPYRANOSIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 125039825

Names and identifiers

Name

QUERCETIN-3-O-BETA-(2''-GALLOYL)-GLUCOPYRANOSIDE

IUPAC name

(2R,3S,4R,5R,6S)-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

C([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)OC3=C(OC2=CC(=CC(=C2C3=O)O)O)C4=CC(=C(C=C4)O)O)OC(C5=CC(=C(C(=C5)O)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
Persicaria lapathifolia (L.) Delarbre subsp. lapathifolia aerial parts -
Kim, Y.S., Jang, D.S., Park, S.H., Yun, J., Min, B.K., Min, K.R., Lee, H.K. (2000). Flavonol glycoside gallate and ferulate esters from Persicaria lapathifolia as inhibitors of superoxide production in human monocytes stimulated by unopsonized zymosan. Planta Med, 66(1), 72-74