aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD01061 | 1.6 | 284.3 | C14H14O2N5 | COc1cccc(CCOc2nc(N)c3c(n2)[N]C=N3)c1 |
|
AD01062 | 0.59 | 131.18 | C6H13O2N | NCCCCCC(=O)O |
|
AD01063 | 4.93 | 395.58 | C23H41O4N | CC(CCCCCCCCCCCCCCO)C(=O)C1=C(O)N(C)C(C)C1=O |
|
AD01064 | -0.6 | 91.13 | C2H5ONS | NC(=O)CS |
|
AD01065 | 0.48 | 518.47 | C25H26O12 | COc1c2c(c(O)c3c4c(c(C)cc13)C1OC3(C(O)OC)OC1C(OC)(O4)C31CO1)C(=O)C(O)CC2O |
|
AD01066 | 7.58 | 1469.48 | C75H91O19N9Cl2 | CCCCCCCCCCCCCNC1(C)CC(OC2c3ccc(c(Cl)c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C(NC(=O)C(CC(C)C)NC)C(=O)NC(CC(N)=O)C(=O)NC4C(=O)NC3C(=O)NC2C(=O)NC(C(=O)O)c2cc(O)cc(O)c2-c2cc3ccc2O)OC(C)C1O |
|
AD01067 | 2.41 | 396.52 | C22H36O6 | CCC1OC(=O)CC(O)C(C)C(O)C(C)CC(C)C(=O)C=CC(C)=CC1CO |
|
AD01068 | 0.67 | 265.67 | C9H8O5NClS | COS(=O)(=O)NC(=O)c1cccc(Cl)c1O |
|
AD01069 | 2.51 | 480.6 | C26H40O8 | CCC1OC(=O)CC(O)C(C)C(O)C(CC=CC(=O)OC)CC(C)C(=O)C=CC(C)=CC1CO |
|
AD01070 | 5.62 | 414.63 | C27H42O3 | CC1=C(CCC(C)CO)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C12 |