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ScientificNameLabel
2-(4-Hydroxyphenyl)-ethyl beta-D-glucopyranoside
PHCD compound ID : 2365
Chemical Names :
2-(4-Hydroxyphenyl)-ethyl beta-D-glucopyranoside
Molecular Formula : C14H20O7
Molecular Weight : 300.120903
More Details :
Names & Synonyms: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]tetrahydropyran-3,4,5-triol , (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4,5-triol , (2R,3R,4S,5S,6R)-2-[2-(4-hydroxyphenyl)ethoxy]-6-methylol-tetrahydropyran-3,4,5-triol
Smiles: OC[C@H]1O[C@@H](OCCc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1
InChi Key : InChIKey=ILRCGYURZSFMEG-RKQHYHRCSA-N
PubChem ID : 159278
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 9.068282
Hydrogen bond donor count : 5 Electric dipole moment : 1.177
XLogP : -1.071 VDW volume : 268.709537
Molecular weight : 300.120903 HOMO-LUMO gap : 9.070000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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