TARAXINIC-ACID-1'-O-BETA-D-GLUCOPYRANOSIDE

Structure

2D structure of TARAXINIC-ACID-1'-O-BETA-D-GLUCOPYRANOSIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 95392279

Names and identifiers

Name

TARAXINIC-ACID-1'-O-BETA-D-GLUCOPYRANOSIDE

IUPAC name

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (3aS,6E,10Z,11aR)-10-methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carboxylate

SMILES

C/C/1=C/[C@@H]2[C@@H](CC/C(=C\CC1)/C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=C)C(=O)O2

General information

Molecular formula

C21H28O9

Molecular weight

424.45 g/mol

Monoisotopic mass

424.1733 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Taraxacum F.H.Wigg. sect. Taraxacum flower -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Taraxacum F.H.Wigg. sect. Taraxacum leaf -
Hansel, R., Keller, K., Rimpler, H., and Schneider, G. eds. 1992. Hager's Handbuch der Pharmazeutischen Praxis, Drogen (A-D), 1209 pp., 1993 (E-O), 970 pp., 1994 (P-Z), 1196 pp. Springer-Verlag, Berlin.
Taraxacum F.H.Wigg. sect. Taraxacum root -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.