CYANIDIN-3-SAMBUBIOSIDE

Structure

2D structure of CYANIDIN-3-SAMBUBIOSIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 6602304

Names and identifiers

Name

CYANIDIN-3-SAMBUBIOSIDE

IUPAC name

3-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium

SMILES

C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC4=C([O+]=C3C=C(C=C(C3=C4)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O

General information

Molecular formula

C26H29O15+

Molecular weight

581.50 g/mol

Monoisotopic mass

581.1501 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Sambucus ebulus L. fruit -
Chiarlo, B., Cajelli, E., Piazzai, G. (1978). Constituents of the drupes of Sambucus ebulus. I. anthocyanin pigments and phenolic acids. Fitoterapia, 49(3), 99-101
Sambucus ebulus L. fruit -
Chiarlo, B., Cajelli, E., Piazzai, G. (1978). Some constituents of the drupes of Sambucus ebulus. I. anthocyanin pigments and phenolic acids. Fitoterapia, 49, 99
Sambucus nigra L. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Sambucus nigra L. fruit -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.