QUERCETIN-3-O-DIGALACTOSIDE

Structure

2D structure of QUERCETIN-3-O-DIGALACTOSIDE
2D structure
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3D model

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

Names and identifiers

Name

QUERCETIN-3-O-DIGALACTOSIDE

IUPAC name

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

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[C@@H]5C([C@@H]([C@@H]([C@H](CO)O5)O)O)O)O)O)O)O)O

General information

Molecular formula

C27H30O17

Molecular weight

626.52 g/mol

Monoisotopic mass

626.1483 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Cirsium arvense (L.) Scop. - -
Wallace, J.W. (1974). Tricin-5-o-glucoside and other flavonoids of Cirsium arvense. Phytochemistry, 13(10), 2320-2321 doi:10.1016/0031-9422(74)85051-x