4'''-Aclacinomycinamide

methyl 4-[5-[5-(5-acetamido-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Also Known As: 4'''-Aclacinomycinamide|4'''(R)-N-Acetamideaclacinomycin A|1-Naphthacenecarboxylic acid, 4-((4-O-(4-O-((2S-(2alpha,5alpha,6beta))-5-(acetylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-, methyl ester, (1R-(1alpha,2beta,4beta))-|Methyl (1R-(1alpha,2beta,4beta))-4-((4-O-(4-O-((2S-(2alpha,5alpha,6beta))-5-(acetylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-1-naphthacenecarboxylate|Methyl 4-((4-O-(4-O-((2S-(2alpha,5alpha,6beta))-5-(acetylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-1-naphthacenecarboxylate (1R-(1alpha,2beta,4beta))-|methyl 4-[5-[5-(5-acetamido-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate|1-Naphthacenecarboxylic acid, 4-((4-O-(4-O-((2S-(2alpha,5beta,6beta))-5-(acetylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-d ioxo-, methyl ester, (1R-(1alpha,2beta,4beta))-|1-Naphthacenecarboxylicacid, 4-[[4-O-[4-O-[[2S-(2a,5b,6b)]-5-(acetylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-2,6-dideoxy-a-L-lyxo-hexopyranosyl]-2,3,6-trideoxy-3-(dimethylamino)-a-L-lyxo-hexopyranosyl]oxy]-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6|3-Ethyl-3,10,12-trihydroxy-4-(methoxycarbonyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-{5-[(1-hydroxyethylidene)amino]-6-methyloxan-2-yl}hexopyranosyl)-3-(dimethylamino)hexopyranoside|methyl 4-[5-[5-(5-acetamido-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-dimethylamino-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Molecular Formula	C44H58N2O15
Molecular Weight	854.3837 g/mol
LogP	3.8
Topological Polar Surface Area	229.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	16
Rotatable Bonds	11
Exact Mass	854.3837
Monoisotopic Mass	854.3837
Heavy Atoms	61
Complexity	1600.0

Chemical Identifiers

CAS Number	79366-08-8
SMILES	CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(C(O7)C)NC(=O)C)O)N(C)C)O
InChIKey	CBAHKCBTZPLJAP-UHFFFAOYSA-N