CHEBI:63496 - digoxigenin monodigitoxoside

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ChEBI Name digoxigenin monodigitoxoside
ChEBI ID CHEBI:63496
Definition A steroid saponin that consists of digoxigenin 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 C29H44O8
Net Charge 0
Average Mass 520.65490
Monoisotopic Mass 520.30362
InChI InChI=1S/C29H44O8/c1-15-26(33)22(30)13-25(36-15)37-18-6-8-27(2)17(11-18)4-5-20-21(27)12-23(31)28(3)19(7-9-29(20,28)34)16-10-24(32)35-14-16/h10,15,17-23,25-26,30-31,33-34H,4-9,11-14H2,1-3H3/t15-,17-,18+,19-,20-,21+,22+,23-,25+,26-,27+,28+,29+/m1/s1
InChIKey JFSXBMIFXZFKHD-ZDDLGXCGSA-N
SMILES [H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)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 digoxigenin monodigitoxoside (CHEBI:63496) has functional parent digoxigenin (CHEBI:42098)
digoxigenin monodigitoxoside (CHEBI:63496) has role metabolite (CHEBI:25212)
digoxigenin monodigitoxoside (CHEBI:63496) is a cardenolide glycoside (CHEBI:38092)
digoxigenin monodigitoxoside (CHEBI:63496) is a digitoxoside (CHEBI:36800)
digoxigenin monodigitoxoside (CHEBI:63496) is a monosaccharide derivative (CHEBI:63367)
digoxigenin monodigitoxoside (CHEBI:63496) is a steroid saponin (CHEBI:61655)
IUPAC Name
(3β,5β,12β)-3-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxycard-20(22)-enolide
Synonyms Sources
3β-(β-D-ribo-2,6-dideoxy-hexopyranosyloxy)-12β,14-dihydroxy-5β,14β-card-20(22)-enolide ChEBI
Digoxigenin-mono(digitoxoside) ChemIDplus
Digoxigeninmonodigitoxoside ChemIDplus
monodigitoxosyldigoxigenin ChEBI
Registry Numbers Types Sources
5352-63-6 CAS Registry Number ChemIDplus
68482 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1778535 PubMed citation Europe PMC
3745397 PubMed citation Europe PMC
4777701 PubMed citation Europe PMC
596321 PubMed citation Europe PMC
6380268 PubMed citation Europe PMC
7373535 PubMed citation Europe PMC
7739045 PubMed citation Europe PMC
Last Modified
12 April 2013