PETUNIDIN-3-O-ALPHA-RHAMNOPYRANOSYL-5-O-BETA-D-GLUCOSIDE

Structure

2D structure of PETUNIDIN-3-O-ALPHA-RHAMNOPYRANOSYL-5-O-BETA-D-GLUCOSIDE
2D structure
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3D model

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

Names and identifiers

Name

PETUNIDIN-3-O-ALPHA-RHAMNOPYRANOSYL-5-O-BETA-D-GLUCOSIDE

IUPAC name

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

SMILES

CC1[C@H]([C@@H]([C@@H]([C@H](O1)OC3=C([O+]=C2C=C(C=C(C2=C3)O[C@@H]4[C@H]([C@@H]([C@H]([C@H](CO)O4)O)O)O)O)C5=CC(=C(C(=C5)OC)O)O)O)O)O

General information

Molecular formula

C28H33O16+

Molecular weight

625.56 g/mol

Monoisotopic mass

625.1763 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Vicia dasycarpa Ten. flower -
Catalano, G., Fossen, T., Andersen, O.M. (1998). Petunidin 3-o-alpha-rhamnopyranoside-5-o-beta-glucopyranoside and other anthocyanins from flowers of Vicia villosa. J Agr Food Chem, 46(11), 4568-4570 doi:10.1021/jf980558e