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4,6-HHDP-glucose
PHCD compound ID : 4281
Chemical Names :
4,6-HHDP-glucose
Molecular Formula : C20H18O14
Molecular Weight : 482.069655
More Details :
Names & Synonyms:
Smiles: O[C@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@H]2[C@@H]([C@@H]1O)O)cc(O)c(c3O)O)O)O
InChi : InChI=1S/C20H18O14/c21-6-1-4-9(13(25)11(6)23)10-5(2-7(22)12(24)14(10)26)19(30)34-17-8(3-32-18(4)29)33-20(31)16(28)15(17)27/h1-2,8,15-17,20-28,31H,3H2/t8-,15-,16+,17-,20+/m1/s1
InChi Key : InChIKey=CIZKCMYSALCBIM-BYQISSPJSA-N
PubChem ID :
Rotatable bond count : 0 Rule of five : 2
Hydrogen bond acceptor count : 14 Ionization potential : 9.352054
Hydrogen bond donor count : 9 Electric dipole moment : 6.686
XLogP : 0.767 VDW volume : 385.221821
Molecular weight : 482.069655 HOMO-LUMO gap : 7.947000
Herb list :
Refrences & Litretures:
  
616.      Journal:'Phytochemistry'      Year:'1994'      Volume:'35'      Page:'1349'      DOI:''      Title:'TAMARIXELLAGIC ACID, AN ELLAGITANNIN FROM THE GALLS OF TAMARIX APHYLLA'
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