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Kaempferide glucuronide
PHCD compound ID : 4073
Chemical Names :
Kaempferide glucuronide
Molecular Formula : C22H20O12
Molecular Weight : 476.095476
More Details :
Names & Synonyms:
Smiles: COc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)O
InChi : InChI=1S/C22H20O12/c1-31-10-4-2-8(3-5-10)18-19(14(25)13-11(24)6-9(23)7-12(13)32-18)33-22-17(28)15(26)16(27)20(34-22)21(29)30/h2-7,15-17,20,22-24,26-28H,1H3,(H,29,30)/t15-,16-,17+,20-,22+/m0/s1
InChi Key : InChIKey=FGOHVEYPHSAVIG-NTKSAMNMSA-N
PubChem ID :
Rotatable bond count : 5 Rule of five : 2
Hydrogen bond acceptor count : 12 Ionization potential : 9.346360
Hydrogen bond donor count : 6 Electric dipole moment : 9.719
XLogP : 0.229 VDW volume : 399.596878
Molecular weight : 476.095476 HOMO-LUMO gap : 8.241000
Herb list :
Refrences & Litretures:
  
559.      Journal:'Evidence-Based Complementary and Alternative Medicine'      Year:'2013'      Volume:''      Page:'579319'      DOI:'10.1155/2013/579319'      Title:'Cichorium intybus: Traditional Uses, Phytochemistry, Pharmacology, and Toxicology'
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