aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD17181 | -1.39 | 469.24 | C12H17O11N5P2 | COP(=O)(O)OC1C2OCC1(COP(=O)(O)O)OC2n1cnc2c(=O)[nH]c(N)nc21 |
|
AD17182 | 2.86 | 300.31 | C17H16O5 | COc1ccccc1C=CC(=O)OCc1ccc(O)c(O)c1 |
|
AD17183 | 9.65 | 593.98 | C36H71O3N3 | CCCCCCCCCCCCCCCCc1cn(C(CO)C(O)C(O)CCCCCCCCCCCCCC)nn1 |
|
AD17184 | 10.09 | 928.14 | C50H69O10N7 | CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC(=O)CCNc6cc(ON=[N+]([O-])N7CCN(Cc8ccccc8)CC7)c([N+](=O)[O-])cc6[N+](=O)[O-])C(C)(C)C5CCC43C)C2C1 |
|
AD17185 | 3.67 | 324.51 | C20H36O3 | CC(=CCO)CCC1C(C)(O)CCC2C(C)(C)C(O)CCC12C |
|
AD17186 | 0.39 | 155.2 | C8H13O2N | CC1=CC[N+]2([O-])CCC(O)C12 |
|
AD17187 | 1.64 | 191.15 | C8H5O3N3 | O=[N+]([O-])c1ccc(-c2ncon2)cc1 |
|
AD17188 | 6.81 | 485.79 | C29H59O4N | CCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCC |
|
AD17189 | 0.73 | 204.7 | C10H17ON2Cl | CC(Cl)CNC(=O)C1CCCNC1 |
|
AD17190 | 3.23 | 504.71 | C30H48O6 | CC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C2(CO)C(O)C1O |