Avenacin A 1
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Avenacin A 1
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CAS No:
90547-90-3
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Formula:
C55H83NO21
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Chemical Name:
Avenacin A 1
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Synonyms:
Oleanan-29-al,12,13-epoxy-3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranosyl)oxy]-16,23-dihydroxy-21-[[2-(methylamino)benzoyl]oxy]-,(3β,4α,12β,16β,20β,21β)-;1H-Piceno[12b,13-b]oxirene,oleanan-29-al deriv.;(3β,4α,12β,16β,20β,21β)-12,13-Epoxy-3-[(O-β-D-glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranosyl)oxy]-16,23-dihydroxy-21-[[2-(methylamino)benzoyl]oxy]oleanan-29-al;Avenacin A 1
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CAS No:
Computed Properties
Molecular Weight:1094.2
XLogP3:1.3
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:14
Exact Mass:1093.54575866
Monoisotopic Mass:1093.54575866
Topological Polar Surface Area:346
Heavy Atom Count:77
Complexity:2150
Undefined Atom Stereocenter Count:28
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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