bruceoside C
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bruceoside C
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CAS No:
141271-79-6
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Formula:
C32H42O16
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Chemical Name:
bruceoside C
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Synonyms:
bruceoside C;Bruceoside-C;Picras-3-en-21-oic acid, 13,20-epoxy-3-(beta-D-glucopyranosyloxy)-11,12-dihydroxy-6-((3-methyl-1-oxo-2-butenyl)oxy)-2,16-dioxo-, methyl ester, (6alpha,11beta,12alpha)-;DTXSID80931060;Methyl 3-(hexopyranosyloxy)-11,12-dihydroxy-6-[(3-methylbut-2-enoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oate
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CAS No:
Computed Properties
Molecular Weight:682.7
XLogP3:-1.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:8
Exact Mass:682.24728525
Monoisotopic Mass:682.24728525
Topological Polar Surface Area:245
Heavy Atom Count:48
Complexity:1450
Defined Atom Stereocenter Count:14
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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