QUERCETIN-3-XYLOSYLGLUCURONIDE

Structure

2D structure of QUERCETIN-3-XYLOSYLGLUCURONIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 157009733

Names and identifiers

Name

QUERCETIN-3-XYLOSYLGLUCURONIDE

IUPAC name

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

SMILES

OC[C@H]1O[C@@H](OC(=O)[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O

General information

Molecular formula

C26H26O17

Molecular weight

610.48 g/mol

Monoisotopic mass

610.1170 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Lolium arundinaceum (Schreb.) Darbysh. subsp. arundinaceum - -
Wong, E. (1980). Flavonol glycosides of tall fescue. N Z J Sci, 23(1), 39-42
Rubus idaeus L. subsp. idaeus - 1-6 ppm
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.