public static IAtomContainer Sucrose()
{
var sucrose = CdkExtensions.ConvertSMILES("C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O");
sucrose.SetProperty(NCDK.CDKPropertyName.Title, nameof(sucrose));
return(sucrose);
}
public static IAtomContainer Penicillin()
{
var penicillin = CdkExtensions.ConvertSMILES("CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C");
penicillin.SetProperty(NCDK.CDKPropertyName.Title, nameof(penicillin));
return(penicillin);
}
/// <summary>
/// Is two <see cref="Glucose"/> molecules
/// See [https://pubchem.ncbi.nlm.nih.gov/compound/6255]
/// </summary>
/// <returns></returns>
public static IAtomContainer Maltose()
{
var maltose = CdkExtensions.ConvertSMILES("C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O");
maltose.SetProperty(NCDK.CDKPropertyName.Title, nameof(maltose));
return(maltose);
}
/// <summary>
/// See [https://pubchem.ncbi.nlm.nih.gov/compound/6036]
/// </summary>
/// <returns></returns>
public static IAtomContainer Galactose()
{
var galactose = CdkExtensions.ConvertSMILES("C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O)O");
galactose.SetProperty(NCDK.CDKPropertyName.Title, nameof(galactose));
return(galactose);
}
/// <summary>
/// See [https://pubchem.ncbi.nlm.nih.gov/compound/2723872]
/// </summary>
/// <returns></returns>
public static IAtomContainer Fructose()
{
var fructose = CdkExtensions.ConvertSMILES("C1[C@H]([C@H]([C@@H](C(O1)(CO)O)O)O)O");
fructose.SetProperty(NCDK.CDKPropertyName.Title, nameof(fructose));
return(fructose);
}
/// <summary>
/// see https://pubchem.ncbi.nlm.nih.gov/compound/5288826#section=Canonical-SMILES
/// </summary>
/// <returns></returns>
public static IAtomContainer Morphine()
{
var morphine = CdkExtensions.ConvertSMILES("CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O");
morphine.SetProperty(NCDK.CDKPropertyName.Title, nameof(morphine));
return(morphine);
}
