pradimicin E
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pradimicin E
structure -
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CAS No:
127985-27-7
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Formula:
C38H40N2O18
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Chemical Name:
pradimicin E
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Synonyms:
des-N-methyl-pradimicin D;pradimicin E;Pradimicin E;127985-27-7;Des-N-methyl-pradimicin D;BU-3608E;2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-5-amino-3-hydroxy-6-methyl-4-[(2S,3R,4S,5R)-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;2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-5-amino-3-hydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-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;Glycine, N-[[(5S,6S)-5-[(4-amino-4,6-dideoxy-3-O-.beta.-D-xylopyranosyl-.beta.-D-galactopyranosyl)oxy]-5,6,8,13-tetrahydro-1,6,9,14-tetrahydroxy-11-methoxy-3-methyl-8,13-dioxobenzo[a]naphthacen-2-yl]carbonyl]-
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CAS No:
Computed Properties
Molecular Weight:812.7
XLogP3:-2.8
Hydrogen Bond Donor Count:11
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:8
Exact Mass:812.22761243
Monoisotopic Mass:812.22761243
Topological Polar Surface Area:335
Heavy Atom Count:58
Complexity:1560
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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