Hedamycin

10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione

Also Known As: Hedamycin|Lactenocin|Antibiotic B26158|Antibiotic B26,158|Crystalline antibiotic B 26,158|antibiotic B 26,158|NSC-70929D|Antiobiotic B 28158, crystalline|B 26158|NCI60_038569|10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione|10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[4-|10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyltetrahydro-2h-pyran-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyltetrahydro-2h-pyran-2-yl]-2-(3,3'-dimethyl-2,2'-bioxir-3-yl)-11-hydroxy-5-methyl-4h-naphtho[2,3-h]chromene-4,7,12-trione(non-preferred name)|4H-Anthra(1,2-b)pyran-4,7,12-trione, 2-(3,3'-dimethyl(2,2'-bioxiran)-3-yl)-11-hydroxy-5-methyl-8-(2,3,6-trideoxy-3-(dimethylamino)-beta-D-arabino-hexopyranosyl)-10-(2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-|10-(4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl)-8-(4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl)-11-hydroxy-5-methyl-2-(2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl)naphtho(2,3-h)chromene-4,7,12-trione|10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyl-tetrahydropyran-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-(3-methyloxiran-2-yl)oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione|4H-Anthra(1,2-b)pyran-4,7,12-trione, 2-(3,3'-dimethyl(2,2'-bioxiran-3-yl)-11-hydroxy-5-methyl-8-(2,3,6-trideoxy-3-(dimethylamino)-.beta.-D-arabino-hexopyranosyl)-10-(2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-.alpha.-L-lyxo-hexopyranos yl]-|4H-Anthra[1,2-b]pyran-4,7,12-trione, 2-(3,3'-dimethyl[2,2'-bioxiran]-3-yl)-11-hydroxy-5-methyl-8-[2,3,6-trideoxy-3-(dimethylamino)-.beta.-D-arabino-hexopyranosyl]-10-[2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-.alpha.-L-lyxo-hexopyranosyl]-|4H-Anthra[1,7,12-trione, 2-(3,3'-dimethyl[2,2'-bioxiran]-3-yl)-11-hydroxy-5-methyl-8-[2,3,6-trideoxy-3-(dimethylamino)-.beta.-D-arabino-hexopyranosyl]-10-[2,3,6-trideoxy-3-(dimethylamino)-3-C-methyl-.alpha.-L-lyxo-hexopyranosyl]-

Molecular Formula	C41H50N2O11
Molecular Weight	746.34143 g/mol
LogP	3.66
Topological Polar Surface Area	175.04 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	13
Rotatable Bonds	6
Exact Mass	746.34143
Heavy Atoms	54
Complexity	2162.6

Chemical Identifiers

CAS Number	11048-97-8
SMILES	CC1C(C(CC(O1)C2=CC(=C(C3=C2C(=O)C4=C(C3=O)C5=C(C(=C4)C)C(=O)C=C(O5)C6(C(O6)C7C(O7)C)C)O)C8CC(C(C(O8)C)O)(C)N(C)C)N(C)C)O