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1,2-dihydroxy-4-o-glucosyloxy Naphthalene
PHCD compound ID : 2503
Chemical Names :
1,2-dihydroxy-4-o-glucosyloxy Naphthalene
Molecular Formula : C16H18O8
Molecular Weight : 338.100168
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@@H](Oc2cc(O)c(c3c2cccc3)O)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C16H18O8/c17-6-11-13(20)14(21)15(22)16(24-11)23-10-5-9(18)12(19)8-4-2-1-3-7(8)10/h1-5,11,13-22H,6H2/t11-,13-,14+,15-,16-/m1/s1
InChi Key : InChIKey=BTMJYJDRRKXOHZ-YMILTQATSA-N
PubChem ID :
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 8 Ionization potential : 8.417982
Hydrogen bond donor count : 6 Electric dipole moment : 3.658
XLogP : 0.416 VDW volume : 283.562357
Molecular weight : 338.100168 HOMO-LUMO gap : 7.686000
Herb list :
Refrences & Litretures:
  
289.      Journal:'International Journal of Pharmaceutical Sciences and Drug Research'      Year:'2010'      Volume:'2'      Page:'91'      DOI:''      Title:'Lawsonia inermis Linnaeus: A Phytopharmacological Review'
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