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ScientificNameLabel
HHDP hexoside
PHCD compound ID : 5560
Chemical Names :
HHDP hexoside , HHDP-hexoside
Molecular Formula : C20H18O14
Molecular Weight : 482.069655
More Details :
Names & Synonyms: (10R,13R,14R,15S)-3,4,5,11,14,20,21,22-octahydroxy-13-(hydroxymethyl)-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaene-8,17-dione , (10R,13R,14R,15S)-3,4,5,11,14,20,21,22-octahydroxy-13-(hydroxymethyl)-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaene-8,17-dione , (10R,13R,14R,15S)-13-(hydroxymethyl)-3,4,5,11,14,20,21,22-octakis(oxidanyl)-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaene-8,17-dione , (10R,13R,14R,15S)-3,4,5,11,14,20,21,22-octahydroxy-13-methylol-9,12,16-trioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaene-8,17-quinone
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-FYHMHJJZSA-N
PubChem ID : 14035453
Rotatable bond count : 1 Rule of five : 2
Hydrogen bond acceptor count : 14 Ionization potential : 9.280552
Hydrogen bond donor count : 9 Electric dipole moment : 7.793
XLogP : 0.338 VDW volume : 385.221821
Molecular weight : 482.069655 HOMO-LUMO gap : 8.113000
Herb list :
Refrences & Litretures:
  
942.      Journal:'Molecules'      Year:'2018'      Volume:'23'      Page:'1247'      DOI:'10.3390/molecules23061247'      Title:'Exploring New Antioxidant and Mineral Compounds from Nymphaea alba Wild-Grown in Danube Delta Biosphere'
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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