Diacetylspiramycin III

[(4R,5S,6S,7S,9R,10S,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyl-4-(2-oxoethyl)oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7,8-bis(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate

Also Known As: Diacetylspiramycin III|[(4R,5S,6S,7S,9R,10S,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6R)-5-(dimethylamino)-6-methyl-4-(2-oxoethyl)oxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7,8-bis(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate|(4R,5S,6S,7S,9R,10S,11E,13E,16R)-6-{[(2S,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-4,5-DIHYDROXY-4,6-DIMETHYLOXAN-2-YL]OXY}-4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLOXAN-2-YL]OXY}-10-{[(2R,5S,6R)-5-(DIMETHYLAMINO)-6-METHYL-4-(2-OXOETHYL)OXAN-2-YL]OXY}-5-METHOXY-9,16-DIMETHYL-2-OXO-7,8-BIS(2-OXOETHYL)-1-OXACYCLOHEXADECA-11,13-DIEN-4-YL PROPANOATE

Molecular Formula	C50H82N2O17
Molecular Weight	982.56134 g/mol
LogP	2.9162
Topological Polar Surface Area	235.59 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	19
Rotatable Bonds	17
Exact Mass	982.56134
Monoisotopic Mass	982.56134
Heavy Atoms	69
Complexity	1695.4623

Chemical Identifiers

CAS Number	99664-83-2
SMILES	CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C([C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)CC=O)C)O[C@H]4CC([C@@H]([C@H](O4)C)N(C)C)CC=O)C