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ScientificNameLabel
Casuarinin
PHCD compound ID : 4275
Chemical Names :
Casuarinin
Molecular Formula : C41H28O26
Molecular Weight : 936.086881
More Details :
Names & Synonyms:
Smiles: O=C(c1cc(O)c(c(c1)O)O)O[C@H]1COC(=O)c2cc(O)c(c(c2c2c(C(=O)O[C@@H]1[C@@H]1OC(=O)c3cc(O)c(c(c3c3c4C(=O)O[C@@H]1[C@H](O)c4c(O)c(c3O)O)O)O)cc(O)c(c2O)O)O)O
InChi : InChI=1S/C41H28O26/c42-11-1-7(2-12(43)23(11)47)37(58)64-16-6-63-38(59)8-3-13(44)24(48)27(51)17(8)18-9(4-14(45)25(49)28(18)52)39(60)65-34(16)36-35-32(56)22-21(41(62)66-35)20(30(54)33(57)31(22)55)19-10(40(61)67-36)5-15(46)26(50)29(19)53/h1-5,16,32,34-36,42-57H,6H2/t16-,32+,34-,35+,36-/m0/s1
InChi Key : InChIKey=MMQXBTULXAEKQE-SPFBNKHZSA-N
PubChem ID : 157395
Rotatable bond count : 4 Rule of five : 2
Hydrogen bond acceptor count : 26 Ionization potential : 9.202083
Hydrogen bond donor count : 16 Electric dipole moment : 4.899
XLogP : 4.278 VDW volume : 740.156879
Molecular weight : 936.086881 HOMO-LUMO gap : 7.766000
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.)'
658.      Journal:'Journal of Ethnopharmacology'      Year:'2007'      Volume:'109'      Page:'177'      DOI:'10.1016/j.jep.2006.09.006'      Title:'Punica granatum (pomegranate) and its potential for prevention and treatment of in?ammation and cancer'
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