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Levoglucosan gallate II
PHCD compound ID : 3184
Chemical Names :
Levoglucosan gallate II
Molecular Formula : C13H14O9
Molecular Weight : 314.063782
More Details :
Names & Synonyms:
Smiles: O[C@@H]1[C@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@H]2OC[C@@H]([C@H]1O)O2
InChi : InChI=1S/C13H14O9/c14-5-1-4(2-6(15)8(5)16)12(19)22-11-10(18)9(17)7-3-20-13(11)21-7/h1-2,7,9-11,13-18H,3H2/t7-,9+,10-,11-,13-/m0/s1
InChi Key : InChIKey=OAGDZSCIZPHEAM-NTGGNFCOSA-N
PubChem ID :
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 9.666161
Hydrogen bond donor count : 5 Electric dipole moment : 5.634
XLogP : -1.144 VDW volume : 254.001088
Molecular weight : 314.063782 HOMO-LUMO gap : 8.815000
Herb list :
Refrences & Litretures:
  
443.      Journal:'Food Chemistry'      Year:'2015'      Volume:'166'      Page:'179'      DOI:'10.1016/j.foodchem.2014.06.011'      Title:'HPLC–DAD–ESI-MS/MS screening of bioactive components from Rhus coriaria L. (Sumac) fruits'
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