Breyniaionoside A
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Breyniaionoside A
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CAS No:
823182-23-6
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Formula:
C19H32O9
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Chemical Name:
Breyniaionoside A
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Synonyms:
Breyniaionoside A;(4S,5R)-4-[(1E)-3-(beta-D-Glucopyranosyloxy)-4-hydroxy-1-buten-1-yl]-4-hydroxy-3,3,5-trimethylcyclohexanone
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CAS No:
Computed Properties
Molecular Weight:404.5
XLogP3:-1.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:404.20463259
Monoisotopic Mass:404.20463259
Topological Polar Surface Area:157
Heavy Atom Count:28
Complexity:578
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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