2-[[5-[5-(dimethylamino)-3-hydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid
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2-[[5-[5-(dimethylamino)-3-hydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid
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CAS No:
127985-23-3
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Formula:
C40H44N2O18
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Chemical Name:
2-[[5-[5-(dimethylamino)-3-hydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid
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Synonyms:
N,N-dimethylpradimicin E;N,N-DMPE;N,N-Dimethylpradimicin E;127985-23-3;Glycine, N-((5-((4,6-dideoxy-4-(dimethylamino)-3-O-beta-D-xylopyranosyl-beta-D-galatopyranosyl)oxy)-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo(a)naphthacen-2-yl)carbonyl)-, (5S-trans)-, hydrate (2:3)
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CAS No:
2-[[5-[5-(dimethylamino)-3-hydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid Basic Attributes
840.8 g/mol
840.25891256 g/mol
Computed Properties
Molecular Weight:840.8
XLogP3:-1.8
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:9
Exact Mass:840.25891256
Monoisotopic Mass:840.25891256
Topological Polar Surface Area:312
Heavy Atom Count:60
Complexity:1600
Undefined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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