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ScientificNameLabel
Glycyrol
PHCD compound ID : 3689
Chemical Names :
Glycyrol
Molecular Formula : C21H18O6
Molecular Weight : 366.110338
More Details :
Names & Synonyms: 3,9-dihydroxy-1-methoxy-2-(3-methylbut-2-enyl)benzofuro[3,2-c]chromen-6-one , 3,9-dihydroxy-1-methoxy-2-(3-methylbut-2-enyl)-6-benzofuro[3,2-c][1]benzopyranone , 3,9-dihydroxy-1-methoxy-2-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one , 1-methoxy-2-(3-methylbut-2-enyl)-3,9-bis(oxidanyl)-[1]benzofuro[3,2-c]chromen-6-one
Smiles: COc1c(CC=C(C)C)c(O)cc2c1c1oc3c(c1c(=O)o2)ccc(c3)O
InChi : InChI=1S/C21H18O6/c1-10(2)4-6-12-14(23)9-16-18(19(12)25-3)20-17(21(24)27-16)13-7-5-11(22)8-15(13)26-20/h4-5,7-9,22-23H,6H2,1-3H3
InChi Key : InChIKey=LWESBHWAOZORCQ-UHFFFAOYSA-N
PubChem ID : 5320083
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.656466
Hydrogen bond donor count : 2 Electric dipole moment : 7.001
XLogP : 3.191 VDW volume : 318.659533
Molecular weight : 366.110338 HOMO-LUMO gap : 7.483000
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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