aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD07481 | 2.49 | 333.21 | C13H9N4SBr | N#CC1=C(N)NC(S)=C(C#N)C1c1ccc(Br)cc1 |
|
AD07482 | 1.69 | 350.36 | C18H16O3N5 | CCNc1nc(C#CC(O)c2cccc(C(=O)OC)c2)nc2c1N=C[N]2 |
|
AD07483 | -3.1 | 403.28 | C12H22O12NP | COP(=O)(O)OC1(C(=O)O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1 |
|
AD07484 | 1.88 | 276.29 | C15H16O5 | Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)C(O)C3 |
|
AD07485 | 0.04 | 334.36 | C14H14O4N4S | O=C(O)CNC(=O)CNC(=O)CSc1cnc2ccccc2n1 |
|
AD07486 | 0.83 | 151.19 | C7H5ONS | C#Cc1ccsc1C(N)=O |
|
AD07487 | -1.14 | 225.18 | C7H16O5NP | COP(=O)(O)CCN1CC(O)C(O)C1 |
|
AD07488 | -0.1 | 177.25 | C7H13O3S | COCCCSCCC(=O)[O-] |
|
AD07489 | -0.76 | 163.22 | C6H11O3S | O=C([O-])CCSCCCO |
|
AD07490 | 3.92 | 404.55 | C24H36O5 | CC1CCCCCC=CC(O)CC(O)CC=CC=CC(O)CC=CC=CC(=O)O1 |