APIGENIN-7-O-BETA-D-GLUCOSIDE-3''-ACETATE

Structure

2D structure of APIGENIN-7-O-BETA-D-GLUCOSIDE-3''-ACETATE
2D structure
Drag to rotate, scroll to zoom
3D model

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

Names and identifiers

Name

APIGENIN-7-O-BETA-D-GLUCOSIDE-3''-ACETATE

IUPAC name

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

SMILES

C1=CC(=CC=C1C3=CC(=O)C2=C(C=C(C=C2O3)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(C)=O)O)O)O

General information

Molecular formula

C23H22O11

Molecular weight

474.42 g/mol

Monoisotopic mass

474.1162 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Matricaria chamomilla L. flower -
Carle, R., Dolle, B., Muller, W., Baumeister, U. (1992). Thermospray liquid chromatography-mass spectrometry (tsp lc-ms) analysis of acetylated apigenin 7-glucosides from Chamomilla recutita. Planta Med Suppl, 58(1), A686-A687 doi:10.1055/s-2006-961706