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Glausrin C
PHCD compound ID : 4265
Chemical Names :
Glausrin C
Molecular Formula : C41H26O26
Molecular Weight : 934.071231
More Details :
Names & Synonyms:
Smiles: O[C@@H]1COC(=O)c2cc(O)c3c(c2c2c(C(=O)O[C@H]1[C@@H]1OC(=O)c4cc(O)c(c(c4c4c5C(=O)O[C@@H]1[C@H](O)c5c(O)c(c4O)O)O)O)cc(O)c(c2O)O)OC(=O)c1c(O3)c(O)c(c(c1)O)O
InChi : InChI=1S/C41H26O26/c42-10-1-6-15(24(50)21(10)47)17-8(3-13(45)32-34(17)65-40(60)9-4-12(44)23(49)30(56)31(9)63-32)37(57)62-5-14(46)33(64-38(6)58)36-35-28(54)20-19(41(61)66-35)18(26(52)29(55)27(20)53)16-7(39(59)67-36)2-11(43)22(48)25(16)51/h1-4,14,28,33,35-36,42-56H,5H2/t14-,28-,33-,35-,36+/m1/s1
InChi Key : InChIKey=FHGSTFLYPSWRJJ-WLXYJIFQSA-N
PubChem ID : 101260012
Rotatable bond count : 1 Rule of five : 2
Hydrogen bond acceptor count : 26 Ionization potential : 8.998782
Hydrogen bond donor count : 15 Electric dipole moment : 10.374
XLogP : 3.061 VDW volume : 727.80042
Molecular weight : 934.071231 HOMO-LUMO gap : 7.553000
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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