bruceantinoside A
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bruceantinoside A
structure -
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CAS No:
79439-85-3
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Formula:
C34H46O16
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Chemical Name:
bruceantinoside A
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Synonyms:
bruceantinoside A;Bruceantinoside-A;NSC333530;NSC 333530;Picras-1-en-21-oic acid, 13,20-epoxy-2-(.beta.-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3,4-dimethyl-1-oxo-2-pentenyl)oxy]-3,16-dioxo-, methyl ester, [11.beta.,12.alpha.,15.beta.(E)]-;Picras-1-en-21-oic acid, 15-((3,4-dimethyl-1-oxo-2-pentenyl)oxy)-13,20-epoxy-2-(beta-D-glucopyranosyloxy)-11,12-dihydroxy-3,16-dioxo-, methyl ester, (11beta,12alpha,15beta(E))-
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CAS No:
Computed Properties
Molecular Weight:710.7
XLogP3:0.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:9
Exact Mass:710.27858538
Monoisotopic Mass:710.27858538
Topological Polar Surface Area:245
Heavy Atom Count:50
Complexity:1490
Undefined Atom Stereocenter Count:16
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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