CHEBI:521226 - digitoxigenin 3-O-[β-D-glucosyl-(1→4)-α-L-acofrioside]

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ChEBI Name digitoxigenin 3-O-[β-D-glucosyl-(1→4)-α-L-acofrioside] ChEBI ID CHEBI:521226 ChEBI ASCII Name digitoxigenin 3-O-[beta-D-glucosyl-(1->4)-alpha-L-acofrioside] Definition A cardenolide glycoside consisting of digitoxigenin having a β-D-glucopyrananosyl-(1→4)-α-L-acofriopyranosyl moiety attached at the 3-position. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C36H56O13 Net Charge 0 Average Mass 696.82200 Monoisotopic Mass 696.37209 InChI InChI=1S/C36H56O13/c1-17-30(49-32-28(41)27(40)26(39)24(15-37)48-32)31(44-4)29(42)33(46-17)47-20-7-10-34(2)19(14-20)5-6-23-22(34)8-11-35(3)21(9-12-36(23,35)43)18-13-25(38)45-16-18/h13,17,19-24,26-33,37,39-43H,5-12,14-16H2,1-4H3/t17-,19+,20-,21+,22-,23+,24+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-/m0/s1 InChIKey LBCSKUSUYQVKDB-DDNYXVGMSA-N SMILES [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](OC)[C@H]1O Roles Classification 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 digitoxigenin 3-O-[β-D-glucosyl-(1→4)-α-L-acofrioside] (CHEBI:521226) has functional parent digitoxigenin (CHEBI:42219) digitoxigenin 3-O-[β-D-glucosyl-(1→4)-α-L-acofrioside] (CHEBI:521226) is a cardenolide glycoside (CHEBI:38092) IUPAC Name (3β,5β)-3-{[6-deoxy-4-O-(β-D-glucopyranosyl)-3-O-methyl-α-L-mannopyranosyl]oxy}-14-hydroxycard-20(22)-enolide Synonym Source digitoxigenin 3-O-[β-D-glucopyrananosyl-(1→4)-α-L-acofriopyranoside] ChEBI Registry Number Type Source 7846866 Reaxys Registry Number Reaxys Citation Type Source 17988099 PubMed citation Europe PMC Last Modified 24 January 2011