CHEBI:3115 - Bipindoside

ChEBI IDCHEBI:3115
ChEBI NameBipindoside
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC29H44O10
Net Charge0
Average Mass552.661
Monoisotopic Mass552.29345
SMILES[H][C@@]12CC[C@]3(O)C[C@@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])[C@H](O)C[C@@]1(C)[C@]2(O)CC[C@]1([H])C1=CC(=O)OC1
InChIInChI=1S/C29H44O10/c1-14-22(32)23(33)24(34)25(38-14)39-16-4-7-26(2)21-18(5-8-28(26,35)11-16)29(36)9-6-17(15-10-20(31)37-13-15)27(29,3)12-19(21)30/h10,14,16-19,21-25,30,32-36H,4-9,11-13H2,1-3H3/t14-,16-,17+,18+,19+,21+,22+,23+,24+,25-,26+,27+,28-,29-/m0/s1
InChIKeyWRORFDCUNLGVJF-NKSXRMIXSA-N
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
Bipindoside (CHEBI:3115) is a cardenolide glycoside (CHEBI:38092)
Synonym  Source
BipindosideKEGG COMPOUND
Manual XrefsDatabases
C00003605KNApSAcK
C08851KEGG COMPOUND
Registry NumbersSources
CAS:6246-79-3KEGG COMPOUND