QUERCETIN-3-O-(GLUCOSYL-(1-2)-GLUCOSYL-(1-6)-GLUCOSIDE

Structure

2D structure of QUERCETIN-3-O-(GLUCOSYL-(1-2)-GLUCOSYL-(1-6)-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-(GLUCOSYL-(1-2)-GLUCOSYL-(1-6)-GLUCOSIDE

IUPAC name

4-(3-(((2S,3R,4S,5S,6R)-6-((((2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-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[C@H]5[C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O[C@@H]6[C@H]([C@@H]([C@H]([C@H](CO)O6)O)O)O)O)O)O)O)[O-]

General information

Molecular formula

C33H39O22-

Molecular weight

787.65 g/mol

Monoisotopic mass

787.1938 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Primula veris L. subsp. columnae (Ten.) Maire & Petitm. flower -
Karl, C., Muller, G., Pedersen, P.A. (1981). Flavonoids in the flowers of Primula officinalis. Planta Med, 41, 96-99