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ScientificNameLabel
Tricin-3-O-glucoside
PHCD compound ID : 4069
Chemical Names :
Tricin-3-O-glucoside
Molecular Formula : C23H24O12
Molecular Weight : 492.126776
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@@H](Oc2cc(cc(c2OC)OC)c2cc(=O)c3c(o2)cc(cc3O)O)[C@H]([C@H]([C@@H]1O)O)O
InChi : InChI=1S/C23H24O12/c1-31-15-3-9(13-7-12(27)18-11(26)5-10(25)6-14(18)33-13)4-16(22(15)32-2)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-26,28-30H,8H2,1-2H3/t17-,19-,20+,21+,23-/m1/s1
InChi Key : InChIKey=LCJZGMADJNIHLB-ZNCFPDGUSA-N
PubChem ID :
Rotatable bond count : 6 Rule of five : 2
Hydrogen bond acceptor count : 12 Ionization potential : 9.361201
Hydrogen bond donor count : 6 Electric dipole moment : 4.042
XLogP : 0.312 VDW volume : 419.529321
Molecular weight : 492.126776 HOMO-LUMO gap : 8.217000
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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