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ScientificNameLabel
Isostrictinin
PHCD compound ID : 4267
Chemical Names :
Isostrictinin
Molecular Formula : C27H22O18
Molecular Weight : 634.080614
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(c(c2)O)O)[C@H]2[C@H]([C@@H]1O)OC(=O)c1cc(O)c(c(c1c1c(C(=O)O2)cc(O)c(c1O)O)O)O
InChi : InChI=1S/C27H22O18/c28-5-13-19(36)22-23(27(42-13)45-24(39)6-1-9(29)16(33)10(30)2-6)44-26(41)8-4-12(32)18(35)21(38)15(8)14-7(25(40)43-22)3-11(31)17(34)20(14)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22+,23-,27+/m1/s1
InChi Key : InChIKey=MBPYHNAWMKVREM-BDYNXYCRSA-N
PubChem ID : 13917513
Rotatable bond count : 4 Rule of five : 2
Hydrogen bond acceptor count : 18 Ionization potential : 9.274710
Hydrogen bond donor count : 11 Electric dipole moment : 7.566
XLogP : 2.122 VDW volume : 507.652326
Molecular weight : 634.080614 HOMO-LUMO gap : 8.116000
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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