Digoxigenin bisdigitoxoside

3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Also Known As: Digoxigenin bisdigitoxoside|Bisdigoxigenin|digoxigenin-bis|Dbis|Digoxin EP Impurity F|Digoxigenin-bis(digitoxoside)|Digoxigenin bis-digitoxiside|digoxingenin bisdigitoxoside|Digoxigenin bis-digitoxoside|digoxigenin-bis-digitoxoside|DIGOXIGENIN, DIDIGITOXOSIDE|EINECS 226-143-0|3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one|A-((2,6-dideoxy-4-o-(2,6-dideoxy-|A-d-ribo-hexopyranosyl)-|A-d-ribo-hexopyranosyl)oxy)-12|A,14-dihydroxy-5|A-card-20(22)-enolide|(3 beta,5 beta,12 beta)-3-((2,6-dideoxy-4-O-(2,6-dideoxy-beta-D-ribo-hexopyranosyl)-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide|(3beta,5beta,12beta)-3-((2,6-Dideoxy-4-O-(2,6-dideoxy-beta-D-ribo-hexopyranosyl)-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide|12beta,14beta-Dihydroxy-5beta-carda-20(22)-enolide-3beta-yl 4-O-(2,6-dideoxy-beta-D-altropyranosyl)-2,6-dideoxy-beta-D-altropyranoside|226-143-0|3-((3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-((2R,4S,5S,6R)-5-((2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl)oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-17-yl)-2H-furan-5-one|3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-uran-5-one|3-{[2,6-Dideoxy-4-O-(2,6-dideoxyhexopyranosyl)hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide|3beta-((2,6-Dideoxy-4-O-(2,6-dideoxy-beta-D -ribo-hexopyranosyl)-beta-D -ribo-hexopyranosyl)oxy)-12beta,14-dihydroxy-5beta-card-20(22)-enolide|3beta-[[2,6-Dideoxy-4-O-(2,6-dideoxy-beta-D-ribo-hexopyranosyl)-beta-D-ribo-hexopyranosyl]oxy]-12beta,14-dihydroxy-5beta,14beta-card-20(22)-enolide|3beta-[[4-O-(2,6-Dideoxy-beta-D-ribo-hexopyranosyl)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy]-12beta,14-dihydroxy-5beta-card-20(22)-enolide|3beta-{[2,6-Dideoxy-4-O-(2,6-dideoxy-beta-D-ribo-hexopyranosyl)-beta-D-ribo-hexopyranosyl]oxy}-12beta,14-dihydroxy-5beta-card-20(22)-enolide|4-((3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-(((2R,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)-12,14-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one

Molecular Formula	C35H54O11
Molecular Weight	650.36664 g/mol
LogP	2.34
Topological Polar Surface Area	164.37 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	11
Rotatable Bonds	5
Exact Mass	650.36664
Heavy Atoms	46
Complexity	1171.0

Chemical Identifiers

CAS Number	5297-05-2
SMILES	C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@H]3CC[C@]4([C@@H](C3)CC[C@@H]5[C@@H]4C[C@H]([C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)C)C)O)O