aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04891 | 1.6 | 190.23 | C9H12N5 | CCCCNc1ncnc2c1N=C[N]2 |
|
AD04892 | 1.4 | 182.17 | C9H10O4 | COc1ccc(C(=O)O)cc1OC |
|
AD04893 | 7.3 | 470.74 | C31H50O3 | COC1OC(C=C(C)C)CC1C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C |
|
AD04894 | 4.44 | 492.74 | C30H52O5 | CC(C)=CC(O)C(O)C(C)(O)C1CCC2(C)C1CCC1C3(C)CCC(O)C(C)(C)C3CC(O)C12C |
|
AD04895 | 1.91 | 269.24 | C12H9O2N6 | O=[N+]([O-])c1ccccc1CNc1ncnc2c1N=C[N]2 |
|
AD04896 | -2.17 | 198.17 | C5H8O2N7 | N=C(NO)C1=N[N]C(N)=C1C(N)=NO |
|
AD04897 | 0.1 | 148.15 | C6H6N5 | CNc1ncnc2c1C=N[N]2 |
|
AD04898 | 2.69 | 242.31 | C13H16N5 | C1=Nc2c(ncnc2NCCC2=CCCCC2)[N]1 |
|
AD04899 | 4.18 | 614.73 | C34H46O10 | CC(=O)OCC12CC3OC(=O)C(CC(=O)C=C(C)C)C3C1(C)C(O)CC1C2=CCC2C1(C)CCC(OC(C)=O)C2(C)C(=O)O |
|
AD04900 | 4.98 | 506.68 | C29H46O7 | CC(=O)OCC1(C(=O)O)CCC2(C)C(CCC3C4(C)CCC(OC(C)=O)C(C)(C)C4CCC32C)C1O |