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ScientificNameLabel
lsoglycyrol
PHCD compound ID : 3691
Chemical Names :
lsoglycyrol
Molecular Formula : C21H18O6
Molecular Weight : 366.110338
More Details :
Names & Synonyms:
Smiles: COc1c2CCC(Oc2cc2c1c1oc3c(c1c(=O)o2)ccc(c3)O)(C)C
InChi : InChI=1S/C21H18O6/c1-21(2)7-6-12-14(27-21)9-15-17(18(12)24-3)19-16(20(23)26-15)11-5-4-10(22)8-13(11)25-19/h4-5,8-9,22H,6-7H2,1-3H3
InChi Key : InChIKey=CFWLRXJPRRCJTI-UHFFFAOYSA-N
PubChem ID : 124050
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.526757
Hydrogen bond donor count : 1 Electric dipole moment : 8.061
XLogP : 2.925 VDW volume : 308.939533
Molecular weight : 366.110338 HOMO-LUMO gap : 7.479000
Herb list :
Refrences & Litretures:
  
512.      Journal:'Food Chemistry'      Year:'1990'      Volume:'38'      Page:'119'      DOI:''      Title:'Liquorice, Glycyrrhiza glabra L. - Composition, Uses and Analysis'
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