QUERCETIN-3,7-DIGLUCURONIDE

Structure

2D structure of QUERCETIN-3,7-DIGLUCURONIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 44259246

Names and identifiers

Name

QUERCETIN-3,7-DIGLUCURONIDE

IUPAC name

(3S,6S)-6-((7-(((2S,4S,5S)-6-carboxy-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

SMILES

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O[C@H]4C([C@H]([C@@H](C(O4)C(=O)O)O)O)O)O)O[C@H]5C(C([C@@H](C(O5)C(=O)O)O)O)O)O)O

General information

Molecular formula

C27H26O19

Molecular weight

654.49 g/mol

Monoisotopic mass

654.1068 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Potentilla reptans L. leaf -
Harborne, J.B. (1965). Plant polyphenols-xiv. characterization of flavonoid glycosides by acidic and enzymic hydrolyses. Phytochemistry, 4, 107-120