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ScientificNameLabel
Pinocembrin 7-O-glucoside
PHCD compound ID : 3663
Chemical Names :
Pinocembrin 7-O-glucoside
Molecular Formula : C21H22O9
Molecular Weight : 418.126382
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@@H](Oc2cc3O[C@@H](CC(=O)c3c(c2)O)c2ccccc2)[C@@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C21H22O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h1-7,14,16,18-23,25-27H,8-9H2/t14-,16+,18+,19-,20+,21+/m0/s1
InChi Key : InChIKey=GPGFGFUBECSNTG-SFTVRKLSSA-N
PubChem ID :
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 9 Ionization potential : 9.344987
Hydrogen bond donor count : 5 Electric dipole moment : 2.586
XLogP : 0.198 VDW volume : 361.20313
Molecular weight : 418.126382 HOMO-LUMO gap : 8.795000
Herb list :
Refrences & Litretures:
  
511.      Journal:'Fitoterapia'      Year:'2011'      Volume:'82'      Page:'546'      DOI:'10.1016/j.?tote.2011.01.009'      Title:'Phytocomplexes from liquorice (Glycyrrhiza glabra L.) leaves — Chemical characterization and evaluation of their antioxidant, anti-genotoxic and anti-in?ammatory activity'
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