Miporamicin

(1R,2S,3R,6E,8S,9S,10S,12R,14E,16R)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-hydroxy-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-8,10,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione

Also Known As: Miporamicin|Mirosamicin|Mycinomycin II|Mirosamicinum|Mirosamicina|Mirosamicine|Mycinamicin II|Mirosamicin [INN]|Antibiotic AR 5-2|Mirosamicine [French]|Mirosamicinum [Latin]|Mirosamicina [Spanish]|Antibiotic A 11725II|14-Hydroxymycinamicin I|Mycinamicin I, 14-hydroxy-|A 11725 II|(1R,2E,5R,7S,8S,9S,10E,14R,15S,16R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-15-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,7,9-trimethyl-13,17-dioxabicyclo[14.1.0]heptadeca-2,10-diene-4,12-dione|4,17-Dioxabicyclo(14.1.0)heptadeca-6,14-diene-5,13-dione, 2-(((6-deoxy-2,3-di-O-methyl-beta-D-allopyranosyl)oxy)methyl)-3-ethyl-2-hydroxy-8,10,12-trimethyl-9-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-, (1R,2S,3R,6E,8S,9S,10S,12R,14E,16S)-

Molecular Formula	C37H61NO13
Molecular Weight	727.4143 g/mol
LogP	1.7637
Topological Polar Surface Area	175.21 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	14
Rotatable Bonds	9
Exact Mass	727.4143
Monoisotopic Mass	727.4143
Heavy Atoms	51
Complexity	1214.8568

Chemical Identifiers

CAS Number	73684-69-2
SMILES	CC[C@@H]1[C@]([C@H]2[C@H](O2)/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)(CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC)O