Abrusoside A
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Abrusoside A
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CAS No:
124962-06-7
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Formula:
C36H54O10
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Chemical Name:
Abrusoside A
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Synonyms:
9,19-Cyclolanost-24-ene-26,28-dioic acid,3-(β-D-glucopyranosyloxy)-22-hydroxy-,δ-lactone,(3β,4α,22S)-;Abrusoside A;(+)-Abrusoside A
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CAS No:
Description
(1S,3R,6S,7S,8R,11S,12S,16R)-7,12,16-Trimethyl-15-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid is a triterpenoid saponin.
Computed Properties
Molecular Weight:646.8
XLogP3:5.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:6
Exact Mass:646.37169792
Monoisotopic Mass:646.37169792
Topological Polar Surface Area:163
Heavy Atom Count:46
Complexity:1300
Defined Atom Stereocenter Count:15
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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