aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22041 | 0.29 | 157.21 | C8H15O2N | O=C(NCCCO)C1CCC1 |
|
AD22042 | 2.64 | 306.4 | C18H26O4 | CC(=O)CCC1(C)C(C)CCC23COC(=O)C2=CC(O)CC31 |
|
AD22043 | 3.45 | 408.58 | C24H40O5 | CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C |
|
AD22044 | 0.91 | 270.28 | C13H18O6 | CC=C1C(O)OC=C(C(=O)OC)C1CC(=O)OCC |
|
AD22045 | 1.16 | 468.47 | C23H24O7N4 | O=C(NCC(O)C1CC(O)C(n2ccc(=O)[nH]c2=O)O1)Nc1ccc(Oc2ccccc2)cc1 |
|
AD22046 | 2.36 | 291.4 | C14H13O2NS2 | CNS(=O)(=O)c1ccc(C#Cc2cccc(C)c2)s1 |
|
AD22047 | -0.51 | 162.13 | C7H4O2N3 | O=[N+]([O-])c1ccc2c(c1)=N[N]C=2 |
|
AD22048 | 1.28 | 123.15 | C7H9ON | COc1ccc(N)cc1 |
|
AD22049 | 0.58 | 353.42 | C18H27O6N | COC(=O)C(CNC1(C)CC(O)OC(C)C1O)OCc1ccccc1 |
|
AD22050 | 1.71 | 234.26 | C14H10N4 | Nc1ncnn2ccc(C#Cc3ccccc3)c12 |