aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD10351 | -0.1 | 205.2 | C8H9ON6 | CN(C)C=Nc1nc2c(c(=O)[nH]1)N=C[N]2 |
|
AD10352 | 0.07 | 190.21 | C8H10N6 | CN(C)c1ncnc2c(N)ncnc12 |
|
AD10353 | 2.53 | 291.34 | C16H15N6 | Cn1cc(CCNc2ncnc3c2N=C[N]3)c2ccccc21 |
|
AD10354 | 2.13 | 586.77 | C30H54O9N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)CC(C)C2=NC(C)C(O2)C1(C)O |
|
AD10355 | 8.82 | 1421.27 | C73H67O19N9Cl2 | CCCCCCCCCCOCc1cn(C2C(=O)NC3Cc4ccc(c(Cl)c4)Oc4cc5cc(c4O)Oc4ccc(cc4Cl)C(O)C4NC(=O)C(NC(=O)C5NC(=O)C(NC3=O)c3cc(O)cc(c3)Oc3cc2ccc3O)c2ccc(O)c(c2)-c2c(O)cc(O)cc2C(C(=O)O)NC4=O)nn1 |
|
AD10356 | 3.17 | 480.44 | C25H16O5N6 | O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1cnccn1 |
|
AD10357 | 1.51 | 432.51 | C24H32O7 | CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CC(O)C2c1ccc(=O)oc1 |
|
AD10358 | 1.42 | 197.02 | C6H3N3Br | BrC1=C[N]c2ncncc21 |
|
AD10359 | 1.0 | 275.03 | C6H4ON4I | COc1nc(I)nc2c1N=C[N]2 |
|
AD10360 | 2.52 | 218.62 | C11H5ON3Cl | ClC1=C[N]c2ncnc(-c3ccoc3)c21 |