CYANIDIN-3,7-O-BETA-D-DIGLUCOSIDE

Structure

2D structure of CYANIDIN-3,7-O-BETA-D-DIGLUCOSIDE
2D structure
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3D model

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

Names and identifiers

Name

CYANIDIN-3,7-O-BETA-D-DIGLUCOSIDE

IUPAC name

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

SMILES

C1=CC(=C(C=C1C3=C(C=C2C(=CC(=CC2=[O+]3)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO)O4)O)O)O)O)O[C@@H]5C([C@@H]([C@H]([C@@H](O5)CO)O)O)O)O)O

General information

Molecular formula

C27H31O16+

Molecular weight

611.53 g/mol

Monoisotopic mass

611.1607 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Alcea rosea L. flower -
Afifi, M.S., Karawya, M.S. (1988). Investigation of flower anthocyanin pigments of Althea rosea cav. and Malva viscous-arborea L. growing in Egypt. Bull Pharm Sci Assiut Univ, 11(2), 185-195 doi:10.21608/bfsa.1988.73509