Gitaloxin

[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-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

Also Known As: Gitaloxin|Cristaloxine|Gitaloxin [INN]|16-Formyl-gitoxin|Gitoxin 16-formate|Gitaloxine [INN-French]|Gitaloxinum [INN-Latin]|Gitaloxina [INN-Spanish]|EINECS 221-864-7|Gitaloxigenin-tridigitoxosid [German]|Gitoxigenin tridigitoxoxide-16-formate|[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-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|(3-(5-(5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-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|(3beta,5beta,16beta)-3-((O-2,6-Dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-16-(formyl oxy)-14-hydroxycard-20(22)-enolide|3-((2,6-Dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl)oxy)-16-(formyloxy)-14-hydroxycard-20(22)-enolide|3-{[2,6-Dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl-(1->4)-2,6-dideoxyhexopyranosyl]oxy}-16-(formyloxy)-14-hydroxycard-20(22)-enolide

Molecular Formula	C42H64O15
Molecular Weight	808.4245 g/mol
LogP	2.4
Topological Polar Surface Area	209.13 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	15
Rotatable Bonds	9
Exact Mass	808.4245
Heavy Atoms	57
Complexity	1474.9

Chemical Identifiers

CAS Number	3261-53-8
SMILES	CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CC(C7C8=CC(=O)OC8)OC=O)O)C)C)C)C)O)O