QUERCETIN-3'-O-METHYL-3-O-BETA-D-GLUCOPYRANOSIDE

Structure

2D structure of QUERCETIN-3'-O-METHYL-3-O-BETA-D-GLUCOPYRANOSIDE
2D structure
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3D model

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

Names and identifiers

Name

QUERCETIN-3'-O-METHYL-3-O-BETA-D-GLUCOPYRANOSIDE

IUPAC name

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

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)O)OC)[O-]

General information

Molecular formula

C22H21O12-

Molecular weight

477.40 g/mol

Monoisotopic mass

477.1039 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Barbarea vulgaris W.T.Aiton aerial parts -
Senatore, F., D'agostino, M., Dini, I. (2000). Flavonoid glycosides of Barbarea vulgaris L. (Brassicaceae). J Agr Food Chem, 48(7), 2659-2662 doi:10.1021/jf990625k