aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22481 | 2.83 | 279.39 | C13H13O2NS2 | CNS(=O)(=O)c1ccc(C=Cc2ccccc2)s1 |
|
AD22482 | -1.71 | 350.85 | C15H27O4N4Cl | CCNC1CC(N)C(OC2OC(CN)=C(Cl)CC2N)C(O)C1O |
|
AD22483 | 6.33 | 1409.61 | C69H96O18N14 | CC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(NC3CCC(NC(=O)OC(Cc4cn(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN5C(=O)C=CC5=O)nn4)c4ccc(O)c([N+](=O)[O-])c4)CC3)nc12 |
|
AD22484 | -3.32 | 367.47 | C14H29O6N3S | CCSC1C(CO)OC(OC2C(N)CC(N)C(O)C2O)C(N)C1O |
|
AD22485 | 0.87 | 259.28 | C9H7N8S | Nc1nc(NN=Cc2cncs2)nc2c1N=C[N]2 |
|
AD22486 | 2.43 | 320.26 | C13H9N7F3 | Nc1nc(NN=Cc2ccc(C(F)(F)F)cc2)nc2c1N=C[N]2 |
|
AD22487 | 2.13 | 332.78 | C14H15N9Cl | CCCCc1nc(C=NNc2nc(N)c3c(n2)[N]C=N3)c(Cl)[nH]1 |
|
AD22488 | 1.08 | 250.3 | C13H18O3N2 | CN(CCCC(N)=O)Cc1cccc(C(=O)O)c1 |
|
AD22489 | 3.07 | 366.46 | C22H26O3N2 | Cc1cc(O)ccc1Cc1ccc(C=CCC(=O)NC(C)(C)C(N)=O)cc1 |
|
AD22490 | 2.66 | 347.37 | C17H21O5N3 | CCCCCCOC(c1ccc([N+](=O)[O-])cc1)c1c[nH]c(=O)[nH]c1=O |