Antibiotic MA 144U5

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

Also Known As: Antibiotic MA 144U5|MA 144U5|1-Naphthacenecarboxylic acid, 4-((2,6-dideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-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-((2,6-dideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7-trihydroxy-6,11-dioxo-1-naphthacenecarboxylate|methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-4-[(2R,4S,5S,6S)-4-hydroxy-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6R)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate|Methyl (1R,2R,4S)-4-[(2,6-dideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6R)-6-methyl-5-oxooxan-2-yl]-alpha-L-lyxo-hexopyranosyl}-alpha-L-lyxo-hexopyranosyl)oxy]-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

Molecular Formula	C40H48O16
Molecular Weight	784.29425 g/mol
LogP	3.1
Topological Polar Surface Area	234.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	16
Rotatable Bonds	9
Exact Mass	784.29425
Monoisotopic Mass	784.29425
Heavy Atoms	56
Complexity	1480.0

Chemical Identifiers

CAS Number	65222-72-2
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[C@H]7CCC(=O)[C@H](O7)C)O)O)O
InChIKey	GETZZXKOBLIOQR-ZMHOUKOOSA-N