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ScientificNameLabel
Strictinin
PHCD compound ID : 4270
Chemical Names :
Strictinin
Molecular Formula : C27H22O18
Molecular Weight : 634.080614
More Details :
Names & Synonyms:
Smiles: O[C@H]1[C@@H](O[C@H]2[C@H]([C@@H]1O)OC(=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/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)21(37)23-13(43-27)5-42-25(40)7-3-11(30)17(33)19(35)14(7)15-8(26(41)44-23)4-12(31)18(34)20(15)36/h1-4,13,21-23,27-38H,5H2/t13-,21-,22-,23-,27+/m1/s1
InChi Key : InChIKey=FYIJLTSMNXUNLT-CXQFPWCTSA-N
PubChem ID : 73330
Rotatable bond count : 3 Rule of five : 2
Hydrogen bond acceptor count : 18 Ionization potential : 9.212451
Hydrogen bond donor count : 11 Electric dipole moment : 5.692
XLogP : 2.122 VDW volume : 507.652326
Molecular weight : 634.080614 HOMO-LUMO gap : 8.126000
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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