Gitoformatum

[3-[5-(4,5-diformyloxy-6-methyloxan-2-yl)oxy-4-formyloxy-6-methyloxan-2-yl]oxy-6-[[16-formyloxy-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]oxy]-2-methyloxan-4-yl] formate

Also Known As: Gitoformate|Formiloxin|Formiloxine|Gitoformatum|Pentaformylgitoxin|Gitoformate (INN)|Gitoformate [INN]|Gitoxin, pentaformate|Gitoformato [Spanish]|Gitoformatum [INN-Latin]|Gitoformato [INN-Spanish]|EINECS 233-450-3|AC 2770|Gitoxin 3',3',3''',4''',16-pentaformate|Gitoxin 3',3'',3''',4''',16-pentaformate|(3beta,5beta,16beta)-3-((O-2,6-Dideoxy-3,4-di-O-formyl-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-3-O-formyl-beta-D-ribo-hexanopyranosyl-(1-4)-2,6-dide oxy-3-O-formyl-beta-D-ribo-hexanopyranosyl)oxy)-16-(formyloxy)-14-hydroxycard-20(22)-enolide|[3-[5-(4,5-diformyloxy-6-methyloxan-2-yl)oxy-4-formyloxy-6-methyloxan-2-yl]oxy-6-[[16-formyloxy-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]oxy]-2-methyloxan-4-yl] formate|[3-[5-[5-(4,5-diformyloxy-6-methyloxan-2-yl)oxy-4-formyloxy-6-methyloxan-2-yl]oxy-4-formyloxy-6-methyloxan-2-yl]oxy-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-16-yl] formate|Card-20(22)-enolide, 3-((O-2,6-dideoxy-3,4-di-O-formyl-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-3-O-formyl-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-3-O-formyl-beta-D-ribo-hexopyranosyl)oxy)-16-(formyloxy)-14-hydroxy-, (3-beta,5-beta,16-beta)-

Molecular Formula	C46H64O19
Molecular Weight	920.4042 g/mol
LogP	3.12
Topological Polar Surface Area	233.41 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	19
Rotatable Bonds	17
Exact Mass	920.4042
Heavy Atoms	65
Complexity	1778.1

Chemical Identifiers

CAS Number	10176-39-3
SMILES	CC1C(C(CC(O1)OC2C(OC(CC2OC=O)OC3C(OC(CC3OC=O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CC(C7C8=CC(=O)OC8)OC=O)O)C)C)C)C)OC=O)OC=O