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ScientificNameLabel
Diosmetin 7-O-beta-D-(6"-O-malonyl)-glucoside
PHCD compound ID : 1098
Chemical Names :
Diosmetin 7-O-beta-D-(6"-O-malonyl)-glucoside
Molecular Formula : C25H24O14
Molecular Weight : 548.116605
More Details :
Names & Synonyms:
Smiles: COc1ccc(cc1O)c1cc(=O)c2c(o1)cc(cc2O)O[C@@H]1O[C@H](COC(=O)CC(=O)O)[C@H]([C@@H]([C@H]1O)O)O
InChi : InChI=1S/C25H24O14/c1-35-15-3-2-10(4-12(15)26)16-7-14(28)21-13(27)5-11(6-17(21)38-16)37-25-24(34)23(33)22(32)18(39-25)9-36-20(31)8-19(29)30/h2-7,18,22-27,32-34H,8-9H2,1H3,(H,29,30)/t18-,22-,23+,24-,25-/m1/s1
InChi Key : InChIKey=BUKAUEHHOBSSPT-GOZZSVHWSA-N
PubChem ID :
Rotatable bond count : 9 Rule of five : 2
Hydrogen bond acceptor count : 14 Ionization potential : 9.263341
Hydrogen bond donor count : 6 Electric dipole moment : 8.816
XLogP : 0.164 VDW volume : 466.428826
Molecular weight : 548.116605 HOMO-LUMO gap : 8.242000
Herb list :
Refrences & Litretures:
  
112.      Journal:'Journal of Ethnopharmacology'      Year:'2012'      Volume:'141'      Page:'908'      DOI:'10.1016/j.jep.2012.03.028'      Title:'Neuropharmacological study of Dracocephalum moldavica L. (Lamiaceae) in mice: Sedative effect and chemical analysis of an aqueous extract'
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