QUERCETIN-3-O-(2''-O-GALLOYL)-BETA-D-GLUCOSIDE

Structure

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

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

Names and identifiers

Name

QUERCETIN-3-O-(2''-O-GALLOYL)-BETA-D-GLUCOSIDE

IUPAC name

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

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

C28H23O16-

Molecular weight

615.48 g/mol

Monoisotopic mass

615.0992 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Euphorbia maculata L. aerial parts -
Agata, I., Hatano, T., Nakaya, Y., Sugaya, T., Nishibe, S., Yoshida, T., Okuda, T. (1991). Tannins and related polyphenols of Euphorbiaceous plants. viii. eumaculin a and eusupinin a, and accompanying polyphenols from Euphorbia maculata L. and E. supina rafin. Chem Pharm Bull, 39(4), 881-883 doi:10.1248/cpb.39.881
Persicaria lapathifolia (L.) Delarbre subsp. lapathifolia - -
Park, S.H., Oh, S.R., Jung, K.Y., Lee, I.S., Ahn, K.S., Kim, J.H., Kim, Y.S., Lee, J.J., Lee, H.K. (1999). Acylated flavonol glycosides with anti-complement activity from Persicaria lapathifolia. Chem Pharm Bull, 47(10), 1484-1486 doi:10.1248/cpb.47.1484