HELLEBRIN,DEGLUCO

Structure

2D structure of HELLEBRIN,DEGLUCO
2D structure
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3D model

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

Names and identifiers

Name

HELLEBRIN,DEGLUCO

IUPAC name

(3S,5S,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(2-oxo-2H-pyran-5-yl)-3-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)hexadecahydro-10H-cyclopenta[a]phenanthrene-10-carbaldehyde

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]5CC[C@@]4([C@H]3CC[C@@]2([C@H](CC[C@@]2(C3CC[C@@]4(C5)O)O)C6=COC(=O)C=C6)C)C=O)O)O)O

General information

Molecular formula

C30H42O10

Molecular weight

562.66 g/mol

Monoisotopic mass

562.2778 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Helleborus foetidus L. subsp. foetidus root -
Kating, H., Wissner, W. (1974). Cardioactive glycosides from the types of the genus Helleborus found in Europe and Asia minor. Pharm-Ztg, 119, 1985
Helleborus foetidus L. subsp. foetidus root -
Wifsner, W. (1973). 14-hydroxy-3-oxo-1,4,20,22-bufatetraenolide, a new compound from underground organs of Helleborus species. Planta Med, 24, 201-210