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CHEBI:176017 - Bipindogulomethyloside

Default Structure
ChEBI IDCHEBI:176017
ChEBI NameBipindogulomethyloside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H44O10
Net Charge0
Average Mass552.661
Monoisotopic Mass552.29345
SMILESCC1OC(OC2CCC3(C)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)C(O)C(O)C1O
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
InChIKeyWRORFDCUNLGVJF-UHFFFAOYSA-N
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
Bipindogulomethyloside (CHEBI:176017) is a cardenolide glycoside (CHEBI:38092)
IUPAC Name 
3-[5,11,14-trihydroxy-10,13-dimethyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-uran-5-one
Manual XrefsDatabases
2966131ChemSpider
HMDB0030623HMDB