CYANIDIN-3,5-DIGLUCOSIDE

Structure

2D structure of CYANIDIN-3,5-DIGLUCOSIDE
2D structure
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3D model

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

Names and identifiers

Name

CYANIDIN-3,5-DIGLUCOSIDE

IUPAC name

2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2R,4R,5R,6S)-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)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)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
Onopordum acanthium L. subsp. acanthium flower -
Karl, C., Mueller, G., Pedersen, P.A. (1976). On the phytochemistry of the flowers of Onopordon acanthium L. (cotton thistle). Dtsch Apoth Ztg, 116, 57-59
Papaver rhoeas L. subsp. rhoeas flower -
Hashem, F.M., Afifi, M.S., Saad, H.A. (1980). Investigation of anthocyanin content of Papaver rhoeas L. growing in egypt. Egypt J Pharm Sci, 21(1/2), 33-41
Sambucus nigra L. fruit -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.