Digitoxigenin-3-beta-L-glucosylglycyl ester

[14-hydroxy-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-3-yl] 2-(2,3,4,5,6-pentahydroxyhexylideneamino)acetate

Also Known As: Digitoxigenin-3-beta-L-glucosylglycyl ester|Digitoxigenin-3-beta-N-D-(+)-glucosylglycyl ester|Glycine, N-D-glucosyl-, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide|Glycine, N-L-glucosyl-, 3-ester with 3-beta,14-dihydroxy-5-beta-card-20(22)-enolide|[14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,|[14-hydroxy-10,13-dimethyl-17- -1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]2- acetate|[14-hydroxy-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-3-yl] 2-(2,3,4,5 ,6-pentahydroxyhexylideneamino)acetate|[14-hydroxy-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-3-yl] 2-(2,3,4,5,6-pentahydroxyhexylideneamino)acetate

Molecular Formula	C31H47NO10
Molecular Weight	593.32 g/mol
LogP	0.6619
Topological Polar Surface Area	186.34 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	11
Rotatable Bonds	9
Exact Mass	593.32
Monoisotopic Mass	593.32
Heavy Atoms	42
Complexity	1095.5873

Chemical Identifiers

CAS Number	81072-27-7
SMILES	CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)OC(=O)CN=CC(C(C(C(CO)O)O)O)O