CYANIDIN-3-(SINAPOYL-XYLOSYL-GLUCOSYL)-GALACTOSIDE

Structure

2D structure of CYANIDIN-3-(SINAPOYL-XYLOSYL-GLUCOSYL)-GALACTOSIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 157010042

Names and identifiers

Name

CYANIDIN-3-(SINAPOYL-XYLOSYL-GLUCOSYL)-GALACTOSIDE

IUPAC name

3-(((2S,3R,4S,5R,6R)-6-((((2R,3R,4S,5S,6R)-6-((((2R,3R,4R,5R)-3,4-dihydroxy-5-((((E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)methyl)tetrahydrofuran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium

SMILES

COC1=CC(\C=C\C(=O)OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](OC[C@H]4O[C@@H](OC5=CC6=C(C=C(O)C=C6O)[O+]=C5C5=CC(O)=C(O)C=C5)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)=CC(OC)=C1O

General information

Molecular formula

C43H49O24+

Molecular weight

949.84 g/mol

Monoisotopic mass

949.2608 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Daucus carota L. leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.