Skip Navigation Links
ScientificNameLabel
HHDP-galloyl-ellagic acid
PHCD compound ID : 5567
Chemical Names :
HHDP-galloyl-ellagic acid
Molecular Formula : C42H20O26
Molecular Weight : 940.024281
More Details :
Names & Synonyms:
Smiles: O=C1OC(=O)c2cc(O)c(c(c2c2c(O)c(O)c3c4c2c(=O)oc2c4c(c(=O)o3)c(c3c(C(=O)OC(=O)c4c(c5c1cc(O)c(c5O)O)c(O)c(c(c4)O)O)cc(O)c(c3O)O)c(c2O)O)O)O
InChi : InChI=1S/C42H20O26/c43-9-1-5-13(27(51)23(9)47)14-6(2-10(44)24(48)28(14)52)38(60)68-40(62)8-4-12(46)26(50)30(54)16(8)18-22-20-19-21(41(63)65-36(20)34(58)32(18)56)17(31(55)33(57)35(19)66-42(22)64)15-7(39(61)67-37(5)59)3-11(45)25(49)29(15)53/h1-4,43-58H
InChi Key : InChIKey=HONTURUHRDKYDZ-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 0 Rule of five : 3
Hydrogen bond acceptor count : 26 Ionization potential : 8.822578
Hydrogen bond donor count : 16 Electric dipole moment : 3.682
XLogP : 5.026 VDW volume : 723.65057
Molecular weight : 940.024281 HOMO-LUMO gap : 7.326000
Herb list :
Refrences & Litretures:
  
943.      Journal:'BMC Complementary and Alternative Medicine'      Year:'2017'      Volume:'17'      Page:'52'      DOI:'10.1186/s12906-017-1561-2'      Title:'Profile of bioactive compounds in Nymphaea alba L. leaves growing in Egypt: hepatoprotective, antioxidant and anti-inflammatory activity'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us