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ScientificNameLabel
Alpha-Solanine
PHCD compound ID : 1980
Chemical Names :
Alpha-Solanine
Molecular Formula : C45H73N1O15
Molecular Weight : 867.498021
More Details :
Names & Synonyms:
Smiles: OC[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C(=CC[C@H]4[C@@H]3CC[C@]3([C@H]4C[C@@H]4[C@@H]3[C@H](C)[C@H]3N4C[C@H](CC3)C)C)C2)C)[C@@H]([C@@H]([C@@H]1O)O[C@@H]1O[C@H](CO)[C@H]([C@H]([C@H]1O)O)O)O[C@@H]1O[C@H](C)[C@H]([C@H]([C@H]1O)O)O
InChi : InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21+,23+,24-,25-,26-,27-,28+,29+,30+,31-,32+,33+,34+,35+,36+,37+,38+,39+,40+,41-,42-,43+,44-,45-/m0/s1
InChi Key : InChIKey=ZGVSETXHNHBTRK-OHPGSKQESA-N
PubChem ID : 262500
Rotatable bond count : 8 Rule of five : 2
Hydrogen bond acceptor count : 16 Ionization potential : 8.461829
Hydrogen bond donor count : 9 Electric dipole moment : 3.463
XLogP : 2.664 VDW volume : 815.881341
Molecular weight : 867.498021 HOMO-LUMO gap : 9.218000
Herb list :
Refrences & Litretures:
  
234.      Journal:'Pak. J. Bot'      Year:'2010'      Volume:'42'      Page:'653'      DOI:''      Title:'CHEMOTAXONOMIC VALUE OF ALKALOIDS IN SOLANUM NIGRUM COMPLEX'
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