MALVIDIN-3,5-DIGLUCOSIDE

Structure

2D structure of MALVIDIN-3,5-DIGLUCOSIDE
2D structure
Drag to rotate, scroll to zoom
3D model

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

Names and identifiers

Name

MALVIDIN-3,5-DIGLUCOSIDE

IUPAC name

7-hydroxy-3,5-bis((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=CC3=[O+]C(C4=CC(OC)=C(O)C(OC)=C4)=C(C=C3C(OC[C@@]([H])(O)[C@]5([H])[C@]([H])(O)[C@](O)([H])[C@]([H])(O5)O)=C2)OC[C@@]([H])(O)[C@]6([H])[C@]([H])(O)[C@](O)([H])[C@]([H])(O6)O

General information

Molecular formula

C35H47O23+

Molecular weight

835.74 g/mol

Monoisotopic mass

835.2503 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 -
Kohlmunzer, S., Konska, G., Wiatr, E. (1984). Anthocyanosides of Alcea rosea L. var. nigra as vasoprotective agents. Herba Hung, 22(3), 13-23
Alcea rosea L. leaf -
Kasumov, M.A. (1984). Red dye from the hollyhock and its use in the food industry. Dokl Akad Nauk Az Ssr, 40(6), 76-79
Daucus carota L. root -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Erodium cicutarium (L.) L'Hér. flower -
Medrano, M.A., Frontera, M.A., Tomas, M.A. (1978). Anthocyanins in the flowers of Erodium cicutarium L. and Erodium malacoides L. An Asoc Quim Argent, 66(2), 107-108
Lythrum salicaria L. flower -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Malva sylvestris L. flower 35000 ppm
Bisset, N.G., ed. 1994. Herbal Drugs and Phytopharmaceuticals. CRC Press. Boca Raton, FL. 566 pp.
Prunella grandiflora (L.) Scholler leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Prunella vulgaris L. subsp. vulgaris leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Vaccinium myrtillus L. fruit -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.