BRYDIOSIDE B

Structure

2D structure of BRYDIOSIDE B
2D structure
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3D model

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

Names and identifiers

Name

BRYDIOSIDE B

IUPAC name

(3S,8S,9R,10R,13R,14S,17R)-4,4,9,13,14-pentamethyl-17-((R)-6-methyl-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)heptan-2-yl)-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@@]12CC[C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C5[C@H]3CC[C@H](O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5(C)C)C)C)[C@H](C)CCCC(C)(C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O

General information

Molecular formula

C42H70O13

Molecular weight

783.01 g/mol

Monoisotopic mass

782.4816 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 -
Oobayashi, K., Yoshikawa, K., Arihara, S. (1992). Structural revision of bryonoside and structure elucidation of minor saponins from Bryonia dioica. Phytochemistry, 31(3), 943-946 doi:10.1016/0031-9422(92)80044-f