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ScientificNameLabel
Dehydrated tergallic C-glucoside
PHCD compound ID : 5580
Chemical Names :
Dehydrated tergallic C-glucoside
Molecular Formula : C27H18O17
Molecular Weight : 614.054399
More Details :
Names & Synonyms:
Smiles: OC[C@@H]1O[C@H]2[C@H]([C@H]([C@H]1O)O)OC(=O)c1c2c(O)c(O)c(c1c1c(O)c(O)c2c3c1c(=O)oc1c3c(c(=O)o2)cc(c1O)O)O
InChi : InChI=1S/C27H18O17/c28-2-5-14(31)19(36)24-23(41-5)12-11(27(40)44-24)8(15(32)18(35)17(12)34)7-10-9-6-3(25(38)42-22(9)20(37)16(7)33)1-4(29)13(30)21(6)43-26(10)39/h1,5,14,19,23-24,28-37H,2H2/t5-,14-,19-,23+,24-/m0/s1
InChi Key : InChIKey=JTTVTHBGPVZKHW-COCHDSPXSA-N
PubChem ID :
Rotatable bond count : 2 Rule of five : 2
Hydrogen bond acceptor count : 14 Ionization potential : 9.166512
Hydrogen bond donor count : 10 Electric dipole moment : 3.628
XLogP : -0.818 VDW volume : 474.149182
Molecular weight : 614.054399 HOMO-LUMO gap : 7.618000
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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