Skip Navigation Links
ScientificNameLabel
oxyresveratrol-2-O-beta-D-glucopyranoside
PHCD compound ID : 3462
Chemical Names :
oxyresveratrol-2-O-beta-D-glucopyranoside
Molecular Formula : C20H22O9
Molecular Weight : 406.126382
More Details :
Names & Synonyms: (2S,3R,4S,5S,6R)-2-[2-[(E)-2-(3,5-dihydroxyphenyl)vinyl]-5-hydroxy-phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol , (2S,3R,4S,5S,6R)-2-[2-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol , (2S,3R,4S,5S,6R)-2-[2-[(E)-2-[3,5-bis(oxidanyl)phenyl]ethenyl]-5-oxidanyl-phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol , (2S,3R,4S,5S,6R)-2-[2-[(E)-2-(3,5-dihydroxyphenyl)vinyl]-5-hydroxy-phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol
Smiles: OC[C@H]1O[C@@H](Oc2cc(O)ccc2/C=C/c2cc(O)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-15-8-12(22)4-3-11(15)2-1-10-5-13(23)7-14(24)6-10/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
InChi Key : InChIKey=UPUMEBJDZQEUFC-CUYWLFDKSA-N
PubChem ID : 11058597
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 9 Ionization potential : 9.141817
Hydrogen bond donor count : 7 Electric dipole moment : 2.521
XLogP : 0.239 VDW volume : 356.263605
Molecular weight : 406.126382 HOMO-LUMO gap : 8.755000
Herb list :
Refrences & Litretures:
  
482.      Journal:'J. Agric. Food Chem'      Year:'2010'      Volume:'58'      Page:'5368'      DOI:'10.1021/jf1003607'      Title:'Tyrosinase Inhibitory Constituents from the Roots of Morus nigra: A Structure-Activity Relationship Study'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us