QUERCETIN-3-(CAFFEOYLSOPHOROSIDE)-7-O-BETA-D-GLUCOSIDE

Structure

2D structure of QUERCETIN-3-(CAFFEOYLSOPHOROSIDE)-7-O-BETA-D-GLUCOSIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 131752951

Names and identifiers

Name

QUERCETIN-3-(CAFFEOYLSOPHOROSIDE)-7-O-BETA-D-GLUCOSIDE

IUPAC name

2-((2-((2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-3-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl (E)-3-(3,4-dihydroxyphenyl)acrylate

SMILES

C1=CC(=C(C=C1/C=C/C(=O)OC2C(C(C(OC2OC3C(C(C(OC3OC4=C(OC5=CC(=CC(=C5C4=O)O)OC6C(C(C(C(O6)CO)O)O)O)C7=CC(=C(C=C7)O)O)CO)O)O)CO)O)O)O)O

General information

Molecular formula

C42H46O25

Molecular weight

950.81 g/mol

Monoisotopic mass

950.2328 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

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