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ScientificNameLabel
oxyresveratrol-3'-O-beta-D-glucopyranoside
PHCD compound ID : 3463
Chemical Names :
oxyresveratrol-3'-O-beta-D-glucopyranoside
Molecular Formula : C20H22O9
Molecular Weight : 406.126382
More Details :
Names & Synonyms: (2S,3R,4S,5S,6R)-2-[3-[(E)-2-(2,4-dihydroxyphenyl)vinyl]-5-hydroxy-phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol , (2S,3R,4S,5S,6R)-2-[3-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol , (2S,3R,4S,5S,6R)-2-[3-[(E)-2-[2,4-bis(oxidanyl)phenyl]ethenyl]-5-oxidanyl-phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol , (2S,3R,4S,5S,6R)-2-[3-[(E)-2-(2,4-dihydroxyphenyl)vinyl]-5-hydroxy-phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol
Smiles: OC[C@H]1O[C@@H](Oc2cc(/C=C/c3ccc(cc3O)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)28-14-6-10(5-13(23)7-14)1-2-11-3-4-12(22)8-15(11)24/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
InChi Key : InChIKey=GGQVPULXXVQLRT-CUYWLFDKSA-N
PubChem ID : 6475174
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 9 Ionization potential : 8.784194
Hydrogen bond donor count : 7 Electric dipole moment : 4.429
XLogP : 0.239 VDW volume : 356.263605
Molecular weight : 406.126382 HOMO-LUMO gap : 8.190000
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'
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