EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:10582 - k-Strophanthoside

Default Structure
ChEBI IDCHEBI:10582
ChEBI Namek-Strophanthoside
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC42H64O19
Net Charge0
Average Mass872.955
Monoisotopic Mass872.40418
SMILES[H][C@]12CC[C@@]3(C)[C@](O)(CC[C@]3([H])C3=CC(=O)OC3)[C@]1([H])CC[C@]1(O)C[C@@H](O[C@H]3C[C@H](OC)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](C)O3)CC[C@@]12C=O
InChIInChI=1S/C42H64O19/c1-19-35(60-38-34(51)32(49)36(27(16-44)59-38)61-37-33(50)31(48)30(47)26(15-43)58-37)25(54-3)13-29(56-19)57-21-4-9-40(18-45)23-5-8-39(2)22(20-12-28(46)55-17-20)7-11-42(39,53)24(23)6-10-41(40,52)14-21/h12,18-19,21-27,29-38,43-44,47-53H,4-11,13-17H2,1-3H3/t19-,21+,22-,23+,24-,25+,26-,27-,29+,30-,31+,32-,33-,34-,35-,36-,37+,38+,39-,40+,41+,42+/m1/s1
InChIKeyCTNPHHZPAJYPFO-QFLJTSPFSA-N
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
k-Strophanthoside (CHEBI:10582) is a cardenolide glycoside (CHEBI:38092)
Synonyms  Source
k-StrophanthosideKEGG COMPOUND
Strophanthidin 3-diglucosylcymaroseKEGG COMPOUND
Manual XrefsDatabases
C00003638KNApSAcK
C08881KEGG COMPOUND
Registry NumbersSources
CAS:33279-57-1KEGG COMPOUND