KAEMPFEROL-3-O-(6'-O-MALONYL-GLUCOSIDE)-7-O-GLUCOSIDE

Structure

2D structure of KAEMPFEROL-3-O-(6'-O-MALONYL-GLUCOSIDE)-7-O-GLUCOSIDE
2D structure
Drag to rotate, scroll to zoom
3D model

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

Names and identifiers

Name

KAEMPFEROL-3-O-(6'-O-MALONYL-GLUCOSIDE)-7-O-GLUCOSIDE

IUPAC name

3-(((2S,3R,4R,5S,6R)-6-((2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methoxy)-3-oxopropanoic acid

SMILES

C1=CC(=C(C=C1C3=C(C(=O)C2=C(C=C(C=C2O3)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)COC(=O)CC(=O)O)O)O)O)O)O

General information

Molecular formula

C30H32O20

Molecular weight

712.57 g/mol

Monoisotopic mass

712.1487 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Equisetum arvense L. aerial parts -
Jim Duke's personal files.