Chemical Name: 4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-(((2R,4S,5S,6R)-5-(((2S,4S,5S,6R)-5-(((2S,4S,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one
Synonym: Digitoxin
Smiles: O[C@@]([C@@]1(CC2)C)(CC[C@@H]1C(CO3)=CC3=O)[C@@](CC[C@]4([H])C[C@@H](O[C@@](O[C@H](C)[C@H]5O[C@@](O[C@H](C)[C@H]6O[C@@](O[C@H](C)[C@H]7O)([H])C[C@@H]7O)([H])C[C@@H]6O)([H])C[C@@H]5O)CC8)([H])[C@@]2([H])[C@]48C
Inchi: InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1