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2,3-HHDP-D-glucopyranose
PHCD compound ID : 4266
Chemical Names :
2,3-HHDP-D-glucopyranose
Molecular Formula : C20H18O14
Molecular Weight : 482.069655
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@@H](O)[C@H]2[C@@H]([C@@H]1O)OC(=O)c1cc(O)c(c(c1c1c(C(=O)O2)cc(O)c(c1O)O)O)O
InChi : InChI=1S/C20H18O14/c21-3-8-13(26)16-17(20(31)32-8)34-19(30)5-2-7(23)12(25)15(28)10(5)9-4(18(29)33-16)1-6(22)11(24)14(9)27/h1-2,8,13,16-17,20-28,31H,3H2/t8-,13-,16-,17-,20-/m1/s1
InChi Key : InChIKey=GEAGRKQCZVLNAU-UCROXWIOSA-N
PubChem ID :
Rotatable bond count : 1 Rule of five : 2
Hydrogen bond acceptor count : 14 Ionization potential : 9.144840
Hydrogen bond donor count : 9 Electric dipole moment : 2.532
XLogP : 0.338 VDW volume : 385.221821
Molecular weight : 482.069655 HOMO-LUMO gap : 8.049000
Herb list :
Refrences & Litretures:
  
614.      Journal:'Phytochemistry'      Year:'2003'      Volume:'63'      Page:'795'      DOI:'10.1016/S0031-9422(03)00333-9'      Title:'Antioxidative polyphenols from walnuts (Juglans regia L.)'
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