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ScientificNameLabel
Kaempferol-7-O-(6"-O-malonyl)-glucoside
PHCD compound ID : 4077
Chemical Names :
Kaempferol-7-O-(6"-O-malonyl)-glucoside
Molecular Formula : C25H24O15
Molecular Weight : 564.11152
More Details :
Names & Synonyms:
Smiles: OC(=O)CC(=O)OCOC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(c(c3=O)O)c2ccc(cc2)O)[C@H]([C@H]([C@H]1O)O)O
InChi : InChI=1S/C25H24O15/c26-11-3-1-10(2-4-11)24-22(34)20(32)18-13(27)5-12(6-14(18)39-24)38-25-23(35)21(33)19(31)15(40-25)8-36-9-37-17(30)7-16(28)29/h1-6,15,19,21,23,25-27,31,33-35H,7-9H2,(H,28,29)/t15-,19+,21+,23+,25-/m1/s1
InChi Key : InChIKey=YQYPMAGKSRVVLY-VUYMRUMXSA-N
PubChem ID :
Rotatable bond count : 10 Rule of five : 2
Hydrogen bond acceptor count : 15 Ionization potential : 8.794885
Hydrogen bond donor count : 7 Electric dipole moment : 2.879
XLogP : 0.219 VDW volume : 475.219053
Molecular weight : 564.11152 HOMO-LUMO gap : 7.774000
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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