scammonin II
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scammonin II
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CAS No:
131747-24-5
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Formula:
C45H78O20
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Chemical Name:
scammonin II
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Synonyms:
11-(O-glucopyranosyl-(1-4)-O-6-deoxy-2-O-(2-methyl-1-oxobutyl)mannopyranosyl-(1-2)-glucopyranosyl-(1-2)-6-deoxyglucopyranosyl)oxy-11-hydroxyhexadecanoic acid, intramol 1,3'''-ester;scammonin II;Scammonin II;131747-24-5;11-(O-Glucopyranosyl-(1-4)-O-6-deoxy-2-O-(2-methyl-1-oxobutyl)mannopyranosyl-(1-2)-glucopyranosyl-(1-2)-6-deoxyglucopyranosyl)oxy-11-hydroxyhexadecanoic acid, intramol 1,3'''-ester;Hexadecanoic acid, 11-((O-6-deoxy-beta-D-glucopyranosyl-(1-4)-O-(S)-6-deoxy-2-O-(2-methyl-1-oxobutyl)-alpha-L-mannopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-2)-6-deoxy-beta-D-glucopyranosyl)oxy)-, intramol. 1,3'''-ester, (S)-
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CAS No:
Drug Information
11-(O-glucopyranosyl-(1-4)-O-6-deoxy-2-O-(2-methyl-1-oxobutyl)mannopyranosyl-(1-2)-glucopyranosyl-(1-2)-6-deoxyglucopyranosyl)oxy-11-hydroxyhexadecanoic acid, intramol 1,3'''-ester
Computed Properties
Molecular Weight:939.1
XLogP3:3.1
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:20
Rotatable Bond Count:11
Exact Mass:938.50864487
Monoisotopic Mass:938.50864487
Topological Polar Surface Area:288
Heavy Atom Count:65
Complexity:1430
Undefined Atom Stereocenter Count:22
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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