CHRYSOERIOL-7-O-BETA-D-(6-O-ACETYL-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE

Structure

2D structure of CHRYSOERIOL-7-O-BETA-D-(6-O-ACETYL-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE
2D structure
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3D model

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

Names and identifiers

Name

CHRYSOERIOL-7-O-BETA-D-(6-O-ACETYL-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE

IUPAC name

((2S,3R,4R,5S,6R)-6-(((2S,3R,4S,5R,6R)-3,5-dihydroxy-2-((5-hydroxy-2-(3-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl acetate

SMILES

COC1=CC=CC(=C1)C3=CC(=O)C2=C(C=C(C=C2O3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)COC(C)=O)O)O)O)O)O

General information

Molecular formula

C30H34O16

Molecular weight

650.59 g/mol

Monoisotopic mass

650.1847 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Carduus pycnocephalus L. subsp. pycnocephalus aerial parts -
El-lakany, A.M., Abdel-kader, M.S., Hammoda, H.M., Ghazy, N.M., Mahmoud, Z.F. (1997). A new flavone glycoside with antimicrobial activity from Carduus pycnocephalus L. Pharmazie, 52(1), 78-79