N-Demethylaclacinomycin A
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N-Demethylaclacinomycin A
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CAS No:
64431-58-9
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Formula:
C41H51NO15
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Chemical Name:
N-Demethylaclacinomycin A
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Synonyms:
N-Monodemethylaclacinomycin A;Antibiotic MA 144L1;UNII-R992SD6O2C;R992SD6O2C;64431-58-9;N-Demethylaclacinomycin A;MA 144L1;1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-4-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(methylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-;DTXSID00214685;methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-4-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate;Q27288001
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CAS No:
Computed Properties
Molecular Weight:797.8
XLogP3:3.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:10
Exact Mass:797.32586992
Monoisotopic Mass:797.32586992
Topological Polar Surface Area:226
Heavy Atom Count:57
Complexity:1500
Defined Atom Stereocenter Count:13
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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