BRYONIOSIDE F

Structure

2D structure of BRYONIOSIDE F
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 10985073

Names and identifiers

Name

BRYONIOSIDE F

IUPAC name

(3S,8S,9R,10R,13R,14S,17R)-17-((R)-6-hydroxy-6-methyl-5-oxoheptan-2-yl)-4,4,9,13,14-pentamethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,2,3,4,7,8,9,10,12,13,14,15,16,17-tetradecahydro-11H-cyclopenta[a]phenanthren-11-one

SMILES

C[C@H](CCC(=O)C(C)(C)O)[C@H]1CC[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C

General information

Molecular formula

C36H58O9

Molecular weight

634.85 g/mol

Monoisotopic mass

634.4081 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Bryonia dioica Jacq. root -
Ukiya, M., Akihisa, T., Yasukawa, K., Tokuda, H., Toriumi, M., Koike, K., Kimura, Y., Nikaido, T., Aoi, W., Nishino, H., Takido, M. (2002). Anti-inflammatory and anti-tumor-promoting effects of cucurbitane glycosides from the roots of Bryonia dioica. J Nat Prod, 65(2), 179-183 doi:10.1021/np010423u