3-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,5R,6R)-3,4,5-trihydroxy-6- (hydroxymethyl)oxan-2-yl]oxy-chromen-4-one
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![3-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,5R,6R)-3,4,5-trihydroxy-6- (hydroxymethyl)oxan-2-yl]oxy-chromen-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/79ce352c711c4cd382788d2e265ca694.png "3-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,5R,6R)-3,4,5-trihydroxy-6- (hydroxymethyl)oxan-2-yl]oxy-chromen-4-one")
3-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,5R,6R)-3,4,5-trihydroxy-6- (hydroxymethyl)oxan-2-yl]oxy-chromen-4-one
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CAS No:
20486-33-3
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Formula:
C21H20O11
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Chemical Name:
3-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,5R,6R)-3,4,5-trihydroxy-6- (hydroxymethyl)oxan-2-yl]oxy-chromen-4-one
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Synonyms:
3-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2s,3r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one;CTK4E4339;4H-1-Benzopyran-4-one,3-(3,4-dihydroxyphenyl)-7-(b-D-glucopyranosyloxy)-5-hydroxy-
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CAS No:
3-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,5R,6R)-3,4,5-trihydroxy-6- (hydroxymethyl)oxan-2-yl]oxy-chromen-4-one Basic Attributes
448.4 g/mol
448.100561 g/mol
Computed Properties
Molecular Weight:448.4
XLogP3:0.5
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:4
Exact Mass:448.10056145
Monoisotopic Mass:448.10056145
Topological Polar Surface Area:186
Heavy Atom Count:32
Complexity:714
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
3-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,5R,6R)-3,4,5-trihydroxy-6- (hydroxymethyl)oxan-2-yl]oxy-chromen-4-one
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