Antibiotic MA144 B1

methyl (1R,2R,4S)-4-[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-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: Aclacinomycin B|Aclacinomycin|Antibiotic MA144 B1|Antibiotic MA144-B1|MA 144B1|MA 144-B1|Methyl (1R,2R,4S)-4-[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate|1-Naphthacenecarboxylic acid,3''-anhydro]-O-3,6-dideoxy-.alpha.-L-erythro-hexopyranos-4-ulos-1-yl-(1.fwdarw.4)-O-2,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl-(1.fwdarw.4)-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-(1.alpha.,2.beta.,4.beta.)]-

Molecular Formula	C42H51NO15
Molecular Weight	809.32587 g/mol
LogP	3.8
Topological Polar Surface Area	206.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	16
Rotatable Bonds	8
Exact Mass	809.32587
Monoisotopic Mass	809.32587
Heavy Atoms	58
Complexity	1580.0

Chemical Identifiers

CAS Number	57596-79-9
SMILES	CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CC7C(C(O6)C)OC8C(O7)CC(=O)C(O8)C)N(C)C)O
InChIKey	RQHZAASWYUEYCJ-RVDHOICPSA-N