aclacinomycin S

methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-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: aclacinomycin S|Aclacinomycin|Antibiotic MA 144S1|MA144 S1|Antibiotic MA-144S1|MA 144 S1|2-Deoxyfucosylrhodosaminylaklavinone|L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone|MA-144S1|MA-144S-1|methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-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, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-4-((4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester (1R-(1-alpha,2-beta,4-beta))-|methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate|(1R)-1,2,3,4,6,11-Hexahydro-6,11-dioxo-2-ethyl-4alpha-[[4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl]oxy]-2alpha,5,7-trihydroxy-1beta-naphthacenecarboxylic acid methyl ester|(1R)-2-Ethyl-2alpha,5,7-trihydroxy-4alpha-[[4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl]oxy]-6,11-dioxo-1,2,3,4,6,11-hexahydronaphthacene-1beta-carboxylic acid methyl ester|(1R,2R)-6,11-Dioxo-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-4alpha-[[4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-dimethylamino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl]oxy]-1beta-naphthacenecarboxylic acid methyl ester|Methyl (1R,2R,4S)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-1-naphthacenecarboxylate|METHYL (1R,2R,4S)-4-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-4,5-DIHYDROXY-6-METHYLOXAN-2-YL]OXY}-4-(DIMETHYLAMINO)-6-METHYLOXAN-2-YL]OXY}-2-ETHYL-2,5,7-TRIHYDROXY-6,11-DIOXO-1,2,3,4,6,11-HEXAHYDROTETRACENE-1-CARBOXYLATE

Molecular Formula	C36H45NO13
Molecular Weight	699.28906 g/mol
LogP	2.9
Topological Polar Surface Area	202.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	14
Rotatable Bonds	8
Exact Mass	699.28906
Monoisotopic Mass	699.28906
Heavy Atoms	50
Complexity	1270.0

Chemical Identifiers

CAS Number	64431-69-2
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)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O)O)N(C)C)O
InChIKey	DNZPQXXGAMXDHH-FCNQEGBTSA-N