11024-24-1

Digitonin

IUPAC Name: (2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5R,6R)-2-(((2R,3R,4R,5R,6R)-6-(((2aS,4R,5R,5'R,6aS,6bS,8aS,8bR,9S,10R,11aR,12S,12aS,12bR)-5,12-dihydroxy-5',6a,8a,9-tetramethyldocosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl)oxy)-4,5-dihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-5-hydroxy-6-(hydroxymethyl)-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

InChIKey: UVYVLBIGDKGWPX-KUAJCENISA-N

SMILES: C[C@@]12[C@]([C@@H]3C)([H])[C@](O[C@]34CC[C@@H](C)CO4)([H])[C@@H](O)[C@@]1([H])[C@@](CC[C@]5([H])[C@@]6(C[C@@H](O)[C@H](O[C@]([C@@H]([C@@H](O)[C@H]7O[C@@](O[C@H](CO)[C@@H](O)[C@@H]8O[C@@](OC[C@@H](O)[C@@H]9O)([H])[C@@H]9O)([H])[C@@H]8O[C@@](O[C@H](CO)[C@H](O)[C@@H]%10O[C@]([C@@H]([C@@H](O)[C@@H]%11O)O)([H])O[C@@H]%11CO)([H])[C@@H]%10O)O)([H])O[C@@H]7CO)C5)C)([H])[C@]6([H])CC2