Antibiotic A447 B

7-[4-(dimethylamino)-5-[4-hydroxy-5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10-[4-(dimethylamino)-5-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Also Known As: Antibiotic A447 B|Cosmomycin C|Antibiotic A447-B|7-[4-(dimethylamino)-5-[4-hydroxy-5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10-[4-(dimethylamino)-5-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione|5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-10-((O-2,3,6-trideoxy-alpha-L-threo-hexopyranosyl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-7-((O-2,3,6-trideoxy-alpha-L-threo-hexopyranosyl-(1-4)-O-2,3,6-trideoxy-alpha-L-threo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (7R-(7alpha,8beta,10beta))-

Molecular Formula	C60H88N2O21
Molecular Weight	1172.588 g/mol
LogP	4.7026
Topological Polar Surface Area	292.99 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	23
Rotatable Bonds	15
Exact Mass	1172.588
Monoisotopic Mass	1172.588
Heavy Atoms	83
Complexity	2614.494

Chemical Identifiers

CAS Number	55945-22-7
SMILES	CCC1(CC(C2=C(C1OC3CC(C(C(O3)C)OC4CCC(C(O4)C)OC5CCC(C(O5)C)O)N(C)C)C(=C6C(=C2O)C(=O)C7=C(C6=O)C=CC=C7O)O)OC8CC(C(C(O8)C)OC9CC(C(C(O9)C)OC1CCC(C(O1)C)O)O)N(C)C)O