N-Didemethylaclacinomycin A

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

Also Known As: N-Didemethylaclacinomycin A|Antibiotic MA144 K1|N,N-Didemethylaclacinomycin A|MA144 K1|1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-6,11-dioxo-4-((O-2,3,6-trideoxy-alpha-L-glycero-hexopyranos-4-ulos-1-yl(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-amino-alpha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-,methyl ester, (1R-(1-alpha,2-beta,4-beta))-|Methyl 4-({3-amino-2,3,6-trideoxy-4-O-[2,6-dideoxy-4-O-(6-methyl-5-oxooxan-2-yl)hexopyranosyl]hexopyranosyl}oxy)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate|methyl 4-[4-amino-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Molecular Formula	C40H49NO15
Molecular Weight	783.31024 g/mol
LogP	2.8
Topological Polar Surface Area	240.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	16
Rotatable Bonds	9
Exact Mass	783.31024
Monoisotopic Mass	783.31024
Heavy Atoms	56
Complexity	1480.0

Chemical Identifiers

CAS Number	67508-84-3
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(=O)C(O7)C)O)N)O
InChIKey	UTUWPAUJZCCHLM-UHFFFAOYSA-N