aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21311 | 3.16 | 246.34 | C13H20N5 | CCCCCCC(C)Nc1ncnc2c1N=C[N]2 |
|
AD21312 | 5.06 | 318.87 | C19H19OClS | Clc1ccccc1Cc1ccc(OCCC2CSC2)cc1 |
|
AD21313 | 5.27 | 513.07 | C31H37O5Cl | CC12CCC(O)CC1CCC1C2CC(O)C2(C)C(C3=CC(=O)OC3=Cc3ccc(Cl)cc3)CCC12O |
|
AD21314 | 2.21 | 219.27 | C11H15ON4 | CCCCCCc1nc(O)c2c(n1)[N]C=N2 |
|
AD21315 | 2.41 | 298.25 | C16H10O6 | O=COc1cc(O)c2c(=O)cc(-c3ccccc3O)oc2c1 |
|
AD21316 | 1.29 | 235.16 | C8H5O4N5 | O=[N+]([O-])c1cc(-c2nc[nH]n2)cc([N+](=O)[O-])c1 |
|
AD21317 | 0.03 | 224.22 | C10H12O4N2 | CCOC(=O)C(C)=Cc1cc(=O)[nH]c(=O)[nH]1 |
|
AD21318 | 2.65 | 253.3 | C16H15O2N | Cc1cc(-c2ccc3c(c2)C(=O)NCC3)ccc1O |
|
AD21319 | -1.82 | 228.2 | C9H12O5N2 | O=c1ccn(C2CC(O)C(CO)O2)c(=O)[nH]1 |
|
AD21320 | 8.0 | 753.01 | C42H60O8N2S | CC(CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)OC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2 |