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Stenophyllanin A
PHCD compound ID : 4276
Chemical Names :
Stenophyllanin A
Molecular Formula : C56H40O31
Molecular Weight : 1208.155355
More Details :
Names & Synonyms:
Smiles: O[C@@H]1Cc2c(O)cc(c(c2O[C@H]1c1ccc(c(c1)O)O)[C@H]1[C@@H]2OC(=O)c3c1c(O)c(O)c(c3c1c(C(=O)O[C@@H]2[C@@H]2OC(=O)c3cc(O)c(c(c3c3c(C(=O)OC[C@H]2OC(=O)c2cc(O)c(c(c2)O)O)cc(c(c3O)O)O)O)O)cc(c(c1O)O)O)O)O
InChi : InChI=1S/C56H40O31/c57-18-2-1-12(3-20(18)59)47-27(66)6-14-19(58)10-21(60)32(48(14)84-47)35-34-36-33(44(74)46(76)45(34)75)31-17(9-26(65)40(70)43(31)73)55(80)87-51(50(35)86-56(36)81)49-28(83-52(77)13-4-22(61)37(67)23(62)5-13)11-82-53(78)15-7-24(63)38(68)41(71)29(15)30-16(54(79)85-49)8-25(64)39(69)42(30)72/h1-5,7-10,27-28,35,47,49-51,57-76H,6,11H2/t27-,28-,35-,47+,49-,50+,51-/m1/s1
InChi Key : InChIKey=MRRHAYNXHYEUOD-JFWWZISTSA-N
PubChem ID : 101651021
Rotatable bond count : 6 Rule of five : 3
Hydrogen bond acceptor count : 31 Ionization potential : 8.790505
Hydrogen bond donor count : 20 Electric dipole moment : 13.231
XLogP : 5.317 VDW volume : 968.859654
Molecular weight : 1208.155355 HOMO-LUMO gap : 7.725000
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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