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ScientificNameLabel
Corilagin
PHCD compound ID : 4432
Chemical Names :
Corilagin
Molecular Formula : C27H22O18
Molecular Weight : 634.080614
More Details :
Names & Synonyms:
Smiles: O[C@@H]1[C@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@@H]1[C@H]([C@@H](O2)OC(=O)c1cc(O)c(c(c1)O)O)O)cc(O)c(c3O)O)O)O
InChi : InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1
InChi Key : InChIKey=TUSDEZXZIZRFGC-XIGLUPEJSA-N
PubChem ID : 73568
Rotatable bond count : 3 Rule of five : 2
Hydrogen bond acceptor count : 18 Ionization potential : 8.962676
Hydrogen bond donor count : 11 Electric dipole moment : 7.281
XLogP : 1.693 VDW volume : 507.652326
Molecular weight : 634.080614 HOMO-LUMO gap : 7.709000
Herb list :
Refrences & Litretures:
  
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'
942.      Journal:'Molecules'      Year:'2018'      Volume:'23'      Page:'1247'      DOI:'10.3390/molecules23061247'      Title:'Exploring New Antioxidant and Mineral Compounds from Nymphaea alba Wild-Grown in Danube Delta Biosphere'
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