VERODOXIN,GLUCO

Structure

2D structure of VERODOXIN,GLUCO
2D structure
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3D model

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

Names and identifiers

Name

VERODOXIN,GLUCO

IUPAC name

(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-(((2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)-14-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexadecahydro-1H-cyclopenta[a]phenanthren-16-yl formate

SMILES

C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC=O)O[C@@H]7[C@H]([C@@H]([C@H]([C@H](CO)O7)O)O)O)C)C)O)OC)O

General information

Molecular formula

C37H56O15

Molecular weight

740.84 g/mol

Monoisotopic mass

740.3619 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Digitalis lutea L. leaf -
Wichtl, M., Wichtl-bleier, W., Mangkudidjojo, M. (1982). High-performance liquid chromatography analysis of Digitalis leaf extract. J Chromatogr, 247, 359-365