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CHEBI:71022 - acovenoside A

ChEBI IDCHEBI:71022
ChEBI Nameacovenoside A
Stars
DefinitionA cardenolide glycoside that is the 3-(6-deoxy-3-O-methyl-α-L-taloside) of 1β,3β,14-trihydroxy-5β-card-20(22)-enolide.
Last Modified17 December 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC30H46O9
Net Charge0
Average Mass550.689
Monoisotopic Mass550.31418
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@]3(O)CC[C@]4([H])C3=CC(=O)OC3)[C@@]1(C)[C@H](O)C[C@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](OC)[C@H]1O)C2
InChIInChI=1S/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-12-17-5-6-21-20(29(17,3)22(31)13-18)7-9-28(2)19(8-10-30(21,28)35)16-11-23(32)37-14-16/h11,15,17-22,24-27,31,33-35H,5-10,12-14H2,1-4H3/t15-,17+,18+,19+,20-,21+,22+,24+,25+,26+,27-,28+,29-,30-/m0/s1
InChIKeyDKYDBQQIQAPGMH-XGOVAQEESA-N
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
acovenoside A (CHEBI:71022) is a cardenolide glycoside (CHEBI:38092)
IUPAC Name 
3β-(6-deoxy-3-O-methyl-α-L-talopyranosyloxy)-1β,14-dihydroxy-5β-card-20(22)-enolide
Registry NumbersSources
Reaxys:70810Reaxys
CAS:663-95-6ChemIDplus
Citations