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ScientificNameLabel
HHDP-gluconic acid
PHCD compound ID : 5575
Chemical Names :
HHDP-gluconic acid
Molecular Formula : C20H18O15
Molecular Weight : 498.06457
More Details :
Names & Synonyms:
Smiles: O[C@@H]1COC(=O)c2cc(O)c(c(c2c2c(C(=O)O[C@H]1[C@@H]([C@H](C(=O)O)O)O)cc(O)c(c2O)O)O)O
InChi : InChI=1S/C20H18O15/c21-6-1-4-9(13(26)11(6)24)10-5(2-7(22)12(25)14(10)27)20(33)35-17(8(23)3-34-19(4)32)15(28)16(29)18(30)31/h1-2,8,15-17,21-29H,3H2,(H,30,31)/t8-,15-,16-,17-/m1/s1
InChi Key : InChIKey=KRIFOBHDCNXTNN-WLWOSTOTSA-N
PubChem ID :
Rotatable bond count : 3 Rule of five : 2
Hydrogen bond acceptor count : 15 Ionization potential : 9.424815
Hydrogen bond donor count : 10 Electric dipole moment : 2.923
XLogP : 0.012 VDW volume : 403.732047
Molecular weight : 498.06457 HOMO-LUMO gap : 8.333000
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'
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