oleandrigenin monodigitoxoside (CHEBI:63507)

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CHEBI:63507 - oleandrigenin monodigitoxoside

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ChEBI ID	CHEBI:63507
ChEBI Name	oleandrigenin monodigitoxoside
Stars
Definition	A steroid saponin that consists of oleandrigenin having a digitoxosyl residue attached at position 3.
Last Modified	12 April 2013
Submitter	Steve
Downloads	Molfile

Formula	C31H46O9
Net Charge	0
Average Mass	562.700
Monoisotopic Mass	562.31418
SMILES	[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](C5=CC(=O)OC5)[C@@H](OC(C)=O)C[C@]34O)[C@@]1(C)CC[C@H](O[C@H]1C[C@H](O)[C@H](O)[C@@H](C)O1)C2
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

Roles Classification

Biological Role:	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:	cardioprotective agent Any protective agent that is able to prevent damage to the heart.

ChEBI Ontology

Outgoing Relation(s)
	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	Source
Oleandrigenin 3-monodigitoxoside	ChemIDplus
O-Acetylgitoroside	ChemIDplus
(3beta,5beta,16beta)-3-((2,6-Dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14,16-dihydroxycard-20(22)-enolide 16-acetate	ChemIDplus
(3β,5β,16β)-16-acetoxy-3-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide	ChEBI
16-acetyl-3β-digitoxosylgitoxigenin	ChEBI

Registry Numbers	Sources
Reaxys:6029010	Reaxys
CAS:53735-71-0	ChemIDplus

Citations