MALVIDIN-3-GLUCOSIDES

Structure

2D structure of MALVIDIN-3-GLUCOSIDES
2D structure
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3D model

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

Names and identifiers

Name

MALVIDIN-3-GLUCOSIDES

IUPAC name

5,7-dihydroxy-3-((R)-2-hydroxy-2-((2R,3R,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl)ethoxy)-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium

SMILES

[H][C@]([C@@]([H])(CO)O[C@@](O)([H])[C@](O)1[H])(O)[C@@]1([H])O.OC2=CC(O)=CC3=[O+]C(C4=CC(OC)=C(O)C(OC)=C4)=C(C=C23)OC[C@@]([H])(O)[C@]5([H])[C@]([H])(O)[C@](O)([H])[C@]([H])(O5)O

General information

Molecular formula

C29H37O18+

Molecular weight

673.60 g/mol

Monoisotopic mass

673.1974 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Ligustrum vulgare L. leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Lysimachia arvensis (L.) U.Manns & Anderb. leaf -
Kawashty, S.A., El-garf, I.A., El-negoumy, S.I. (1998). Chemosystematics of Anagallis arvensis L. (Primulaceae). Biochem Syst Ecol, 26(6), 663-668 doi:10.1016/s0305-1978(98)00008-8
Malva sylvestris L. flower -
Bisset, N.G., ed. 1994. Herbal Drugs and Phytopharmaceuticals. CRC Press. Boca Raton, FL. 566 pp.
Vaccinium myrtillus L. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.