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1,2-dihydroxy-4-o-glucosyloxy Naphthalene
ScientificNameLabel
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 :
Henna - Lawsonia inermis - حنا
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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