CHEBI:63507 - oleandrigenin monodigitoxoside

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ChEBI Name oleandrigenin monodigitoxoside
ChEBI ID CHEBI:63507
Definition A steroid saponin that consists of oleandrigenin having a digitoxosyl residue attached at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C31H46O9
Net Charge 0
Average Mass 562.69150
Monoisotopic Mass 562.31418
InChI InChI=1S/C31H46O9/c1-16-28(35)23(33)13-26(38-16)40-20-7-9-29(3)19(12-20)5-6-22-21(29)8-10-30(4)27(18-11-25(34)37-15-18)24(39-17(2)32)14-31(22,30)36/h11,16,19-24,26-28,33,35-36H,5-10,12-15H2,1-4H3/t16-,19-,20+,21+,22-,23+,24+,26+,27+,28-,29+,30-,31+/m1/s1
InChIKey QWTDCDSWAVIWER-DVZRJHCKSA-N
SMILES [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H]([C@H](C[C@]34O)OC(C)=O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O)[C@@H](C)O1
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
Application(s): cardioprotective agent
Any protective agent that is able to prevent damage to the heart.
(via cardiac glycoside )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing oleandrigenin monodigitoxoside (CHEBI:63507) is a cardenolide glycoside (CHEBI:38092)
oleandrigenin monodigitoxoside (CHEBI:63507) is a digitoxoside (CHEBI:36800)
oleandrigenin monodigitoxoside (CHEBI:63507) is a monosaccharide derivative (CHEBI:63367)
oleandrigenin monodigitoxoside (CHEBI:63507) is a steroid ester (CHEBI:47880)
oleandrigenin monodigitoxoside (CHEBI:63507) is a steroid saponin (CHEBI:61655)
Synonyms Sources
(3β,5β,16β)-16-acetoxy-3-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide ChEBI
(3beta,5beta,16beta)-3-((2,6-Dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14,16-dihydroxycard-20(22)-enolide 16-acetate ChemIDplus
16-acetyl-3β-digitoxosylgitoxigenin ChEBI
O-Acetylgitoroside ChemIDplus
Oleandrigenin 3-monodigitoxoside ChemIDplus
Registry Numbers Types Sources
53735-71-0 CAS Registry Number ChemIDplus
6029010 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
7739045 PubMed citation Europe PMC
Last Modified
12 April 2013