SCOPARIN
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SCOPARIN
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CAS No:
301-16-6
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Formula:
C22H22O11
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Chemical Name:
SCOPARIN
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Synonyms:
Scoparin;UNII-DR3Y9P779Q;DR3Y9P779Q;SCHEMBL993192;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one;Q27276557;4H-1-Benzopyran-4-one, 8-beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-;5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
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CAS No:
Computed Properties
Molecular Weight:462.4
XLogP3:0.2
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:4
Exact Mass:462.11621151
Monoisotopic Mass:462.11621151
Topological Polar Surface Area:186
Heavy Atom Count:33
Complexity:744
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes