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ScientificNameLabel
Alpha-Solamargine
PHCD compound ID : 1978
Chemical Names :
Alpha-Solamargine
Molecular Formula : C45H73N1O16
Molecular Weight : 883.492935
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@@]3(O4)CC[C@H](CN3)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/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/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+/m1/s1
InChi Key : InChIKey=QCTMYNGDIBTNSK-YVZKUEJKSA-N
PubChem ID : 70680623
Rotatable bond count : 8 Rule of five : 2
Hydrogen bond acceptor count : 17 Ionization potential : 8.829881
Hydrogen bond donor count : 10 Electric dipole moment : 4.705
XLogP : 2.366 VDW volume : 824.671567
Molecular weight : 883.492935 HOMO-LUMO gap : 9.641000
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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