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ScientificNameLabel
Emoxin-8-O-sophoroside
PHCD compound ID : 3277
Chemical Names :
Emoxin-8-O-sophoroside
Molecular Formula : C27H30O15
Molecular Weight : 594.15847
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@H](Oc2cc(O)cc3c2C(=O)c2c(C3=O)cc(cc2O)C)[C@H]([C@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@H]1O)O)O
InChi : InChI=1S/C27H30O15/c1-8-2-10-16(12(31)3-8)21(35)17-11(18(10)32)4-9(30)5-13(17)39-27-25(23(37)20(34)15(7-29)41-27)42-26-24(38)22(36)19(33)14(6-28)40-26/h2-5,14-15,19-20,22-31,33-34,36-38H,6-7H2,1H3/t14-,15-,19-,20+,22-,23+,24-,25+,26+,27+/m1/s1
InChi Key : InChIKey=GMKFXGUNKWRWHE-WYERVMNESA-N
PubChem ID :
Rotatable bond count : 6 Rule of five : 2
Hydrogen bond acceptor count : 15 Ionization potential : 9.452012
Hydrogen bond donor count : 9 Electric dipole moment : 2.298
XLogP : -2.326 VDW volume : 502.727481
Molecular weight : 594.15847 HOMO-LUMO gap : 7.747000
Herb list :
Refrences & Litretures:
  
445.      Journal:'JOURNAL OF NATURAL REMEDIES'      Year:'2002'      Volume:'2'      Page:'102'      DOI:'10.18311/jnr/2002/141'      Title:'A review of phytochemical studies of Cassia species'
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