bruceoside B
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bruceoside B
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CAS No:
69687-69-0
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Formula:
C32H42O16
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Chemical Name:
bruceoside B
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Synonyms:
bruceoside B;13,20-Epoxy-3-(β-D-glucopyranosyloxy)-11β,12α-dihydroxy-15β-(3-methyl-2-butenoyloxy)-2,16-dioxopicrasa-3-ene-21-oic acid methyl ester;13,20-Epoxy-3-(β-D-glucopyranosyloxy)-11β,12α-dihydroxy-15β-[(3-methyl-1-oxo-2-butenyl)oxy]-2,16-dioxopicras-3-en-21-oic acid methyl ester;15-(3-Methyl-2-butanoyl)bruceolide 3-O-β-D-glucopyranoside;2,16-Dioxo-3-(β-D-glucopyranosyloxy)-13,20-epoxy-15β-(3-methyl-2-butenoyloxy)-11β,12α-dihydroxypicras-3-en-21-oic acid methyl ester;Javanicoside A;(11beta,12alpha,15beta)-13,20-Epoxy-3-(beta-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-2,16-dioxopicras-3-en-21-oic acid methyl ester
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CAS No:
Computed Properties
Molecular Weight:682.7
XLogP3:-0.9
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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