Solanine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 48
Total Number of Articles : 19
PubChem 54605356
Molecular Formula

C45H74ClNO15

SMILES

CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C.Cl

InChI

InChI=1S/C45H73NO15.ClH/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;1H

synonyms
  • SOLANINE
  • NSC35611
  • Solanine, hydrochloride
Click to show/hide the synonyms
Properties
Property Value
MW 904.5 g/mol
HBD 10
HBA 16
Rotatable Bond Count 8
Exact Mass 903.4746983 g/mol
Monoisotopic Mass 903.4746983 g/mol
Heavy Atom Count 62
Isotope Atom Count 0
Atom Stereo Count 26
Covalent Unit Count 2
Complexity 1590
xlogp None
Topological Polar Surface Area 241