Skip Navigation Links
ScientificNameLabel
Gallagyldilacton
PHCD compound ID : 4433
Chemical Names :
Gallagyldilacton
Molecular Formula : C28H10O16
Molecular Weight : 601.996884
More Details :
Names & Synonyms:
Smiles: Oc1cc2c(=O)oc3c(c2c(c1O)O)c1c(=O)oc2c4c1c(c3O)oc(=O)c4c1c(c2O)oc(=O)c2c1c(O)c(O)c(c2)O
InChi : InChI=1S/C28H10O16/c29-5-1-3-7(17(33)15(5)31)9-13-11-12-14(28(40)44-23(11)19(35)21(9)41-25(3)37)10-8-4(2-6(30)16(32)18(8)34)26(38)42-22(10)20(36)24(12)43-27(13)39/h1-2,29-36H
InChi Key : InChIKey=UGAJKWZVPNVCIO-UHFFFAOYSA-N
PubChem ID : 5281711
Rotatable bond count : 0 Rule of five : 2
Hydrogen bond acceptor count : 16 Ionization potential : 9.198787
Hydrogen bond donor count : 8 Electric dipole moment : 3.770
XLogP : 2.486 VDW volume : 448.852647
Molecular weight : 601.996884 HOMO-LUMO gap : 6.932000
Herb list :
Refrences & Litretures:
  
658.      Journal:'Journal of Ethnopharmacology'      Year:'2007'      Volume:'109'      Page:'177'      DOI:'10.1016/j.jep.2006.09.006'      Title:'Punica granatum (pomegranate) and its potential for prevention and treatment of in?ammation and cancer'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us