N-aconityldaunomycin
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N-aconityldaunomycin
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CAS No:
80445-77-8
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Formula:
C33H33NO15
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Chemical Name:
N-aconityldaunomycin
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Synonyms:
cis-aconityl-daunomycin;N-aconityldaunomycin;N-ADM;N-cis-aconityldaunomycin;(2Z)-2-[2-[[(2S,3S,4S,6R)-6-[[(3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]-2-oxoethylidene]butanedioic acid;5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((3,4-dicarboxy-1-oxo-2-butenyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-(8alpha,10alpha(Z)))-
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CAS No:
Computed Properties
Molecular Weight:683.6
XLogP3:1.3
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:9
Exact Mass:683.18501935
Monoisotopic Mass:683.18501935
Topological Polar Surface Area:264
Heavy Atom Count:49
Complexity:1400
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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