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ScientificNameLabel
Tellimagrandin II
PHCD compound ID : 4272
Chemical Names :
Tellimagrandin II
Molecular Formula : C41H30O26
Molecular Weight : 938.102531
More Details :
Names & Synonyms:
Smiles: O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1[C@@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@@H](O[C@H]2[C@H]1OC(=O)c1cc(O)c(c(c1c1c(C(=O)OC2)cc(c(c1O)O)O)O)O)OC(=O)c1cc(O)c(c(c1)O)O
InChi : InChI=1S/C41H30O26/c42-15-1-10(2-16(43)26(15)50)36(57)65-34-33-23(9-62-39(60)13-7-21(48)29(53)31(55)24(13)25-14(40(61)64-33)8-22(49)30(54)32(25)56)63-41(67-38(59)12-5-19(46)28(52)20(47)6-12)35(34)66-37(58)11-3-17(44)27(51)18(45)4-11/h1-8,23,33-35,41-56H,9H2/t23-,33-,34+,35-,41+/m1/s1
InChi Key : InChIKey=JCGHAEBIBSEQAD-UUUCSUBKSA-N
PubChem ID : 442679
Rotatable bond count : 9 Rule of five : 3
Hydrogen bond acceptor count : 26 Ionization potential : 9.027340
Hydrogen bond donor count : 15 Electric dipole moment : 7.212
XLogP : 5.261 VDW volume : 752.513338
Molecular weight : 938.102531 HOMO-LUMO gap : 7.748000
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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