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ScientificNameLabel
Salicin
PHCD compound ID : 1649
Chemical Names :
Salicin
Molecular Formula : C13H18O7
Molecular Weight : 286.105253
More Details :
Names & Synonyms: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]tetrahydropyran-3,4,5-triol , (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol , (2R,3S,4S,5R,6S)-2-methylol-6-(2-methylolphenoxy)tetrahydropyran-3,4,5-triol
Smiles: OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
InChi Key : InChIKey=NGFMICBWJRZIBI-UJPOAAIJSA-N
PubChem ID : 439503
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 9.593888
Hydrogen bond donor count : 5 Electric dipole moment : 2.245
XLogP : -1.216 VDW volume : 251.413552
Molecular weight : 286.105253 HOMO-LUMO gap : 9.483000
Herb list :
Refrences & Litretures:
  
185.      Journal:'Nutrition and Cancer'      Year:'2013'      Volume:'65'      Page:'1045'      DOI:'10.1080/01635581.2013.850966'      Title:'Anticarcinogenic Effects of the Ethanolic Extract of Salix aegyptiaca in Colon Cancer Cells: Involvement of Akt/PKB and MAPK Pathways'
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