PECTOLINARIGENIN-7-O-BETA-D-GLYCOSIDE

Structure

2D structure of PECTOLINARIGENIN-7-O-BETA-D-GLYCOSIDE
2D structure
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3D model

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

Names and identifiers

Name

PECTOLINARIGENIN-7-O-BETA-D-GLYCOSIDE

IUPAC name

7-(((3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one

SMILES

C4(=CC(C1=C(C=C(C(=C1O)OC)OC2[C@H]([C@@H]([C@H]([C@H](CO)O2)O[C@@H]3[C@H]([C@H]([C@@H]([C@@H](C)O3)O)O)O)O)O)O4)=O)C5=CC=C(C=C5)OC

General information

Molecular formula

C29H34O15

Molecular weight

622.58 g/mol

Monoisotopic mass

622.1898 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Kickxia spuria (L.) Dumort. subsp. spuria - -
Toth, L., Kokovay, K., Bujtas, G.Y., Papay, V. (1980). On further flavonoids from Kickxia spuria Dum. Pharmazie, 35, 334