Digoxigenin monodigitoxoside

3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-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 monodigitoxoside|digoxin|Digoxigenin-mono(digitoxoside)|Monodigitoxoside|Digoxigeninmonodigitoxoside|1igj|Digoxin EP Impurity D|monodigitoxosyldigoxigenin|Digoxigenin mono-digitoside|Digoxigenin Monodigitoxide|Digoxigenin 3-Monodigitoxide|KST-1A5788|DIGOXIN IMPURITY D [EP IMPURITY]|Digoxin-like inhibitor of the sodium pump|3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-4,5-dihydroxy-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|(3beta,5beta,12beta)-3-[(2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxycard-20(22)-enolide|(3|A,5|A,12|A)-3-[(2,6-dideoxy-|A-d-ribo-hexopyranosyl)oxy]-12,14-dihydroxycard-20(22)-enolide|3beta-(beta-D-ribo-2,6-dideoxy-hexopyranosyloxy)-12beta,14-dihydroxy-5beta,14beta-card-20(22)-enolide|4-((3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-(((2R,4S,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-12,14-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one|DGX|(3?,5?,12?)-3-[(2,6-Dideoxy-?-D-ribo-hexopyranosyl)oxy]-12 ,14-dihydroxycard-20(22)-enolide|(3beta,5beta,12beta)-3-((2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide|12beta,14beta-Dihydroxy-5beta-carda-20(22)-enolide-3beta-yl 2,6-dideoxy-beta-D-altropyranoside

Molecular Formula	C29H44O8
Molecular Weight	520.3036 g/mol
LogP	2.46
Topological Polar Surface Area	125.68 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	3
Exact Mass	520.3036
Heavy Atoms	37
Complexity	940.2

Chemical Identifiers

CAS Number	5352-63-6
SMILES	C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O