2'-Demethylbenanomicin A
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2'-Demethylbenanomicin A
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CAS No:
133806-63-0
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Formula:
C38H39NO19
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Chemical Name:
2'-Demethylbenanomicin A
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Synonyms:
2"-demethylbenanomicin A;2-[[5-[3,5-dihydroxy-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:
Computed Properties
Molecular Weight:813.7
XLogP3:-0.3
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:8
Exact Mass:813.21162801
Monoisotopic Mass:813.21162801
Topological Polar Surface Area:329
Heavy Atom Count:58
Complexity:1550
Undefined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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