Glucoverodoxin

[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,3R,4R,5S,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate

Also Known As: Glucoverodoxin|16-Formyldigitalinum verum|EINECS 227-879-5|(3beta,5beta,16beta)-3-((6-Deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-galactopyranosyl)oxy)-14,16-dihydroxycard-20(22)-enolide 16-formate|3-Benzofurancarboxylic acid,7-chlorooctahydro-2-oxo-,ethyl ester|(1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-3a-hydroxy-7-{[(2R,3R,4R,5S,6R)-3-hydroxy-4-methoxy-6-methyl-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl formate|(3beta,5beta,16beta)-3-[(6-deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-galactopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide 16-formate|[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,3R,4R,5S,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate|3beta-[(6-Deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-galactopyranosyl)oxy]-16beta-(formyloxy)-14-hydroxy-5beta-card-20(22)-enolide|3beta-[[4-O-(beta-D-Glucopyranosyl)-3-O-methyl-6-deoxy-beta-D-galactopyranosyl]oxy]-16beta-formyloxy-14-hydroxy-5beta-card-20(22)-enolide|Card-20(22)-enolide, 3-[(6-deoxy-4-O-I(2)-D-glucopyranosyl-3-O-methyl-I(2)-D-galactopyranosyl)oxy]-16-(formyloxy)-14-hydroxy-, (3I(2),5I(2),16I(2))-

Molecular Formula	C37H56O15
Molecular Weight	740.36194 g/mol
LogP	0.0859
Topological Polar Surface Area	220.13 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	15
Rotatable Bonds	9
Exact Mass	740.36194
Monoisotopic Mass	740.36194
Heavy Atoms	52
Complexity	1359.841

Chemical Identifiers

CAS Number	6022-99-7
SMILES	C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC=O)O)C)C)O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O