[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)oxan-4-yl] 3,4,5-trihydroxybenzoate
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![[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)oxan-4-yl] 3,4,5-trihydroxybenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d758f54268af4ab2a7a3bf19ed302e32.png "[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)oxan-4-yl] 3,4,5-trihydroxybenzoate")
[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)oxan-4-yl] 3,4,5-trihydroxybenzoate
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CAS No:
143519-53-3
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Formula:
C23H28O11
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Chemical Name:
[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)oxan-4-yl] 3,4,5-trihydroxybenzoate
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Synonyms:
isoquerglanin;Isoquerglanin;143519-53-3;DTXSID70931938;[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)oxan-4-yl] 3,4,5-trihydroxybenzoate;4-Hydroxy-5-methyl-2-(propan-2-yl)phenyl 3-O-(3,4,5-trihydroxybenzoyl)hexopyranoside
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CAS No:
[(2R,3R,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)oxan-4-yl] 3,4,5-trihydroxybenzoate Basic Attributes
480.5 g/mol
480.16316171 g/mol
Computed Properties
Molecular Weight:480.5
XLogP3:2.1
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:480.16316171
Monoisotopic Mass:480.16316171
Topological Polar Surface Area:186
Heavy Atom Count:34
Complexity:663
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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