aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD15031 | 3.34 | 322.14 | C14H7ON6Cl2 | O=C(Nc1cccc(Cl)c1)Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD15032 | 1.61 | 195.29 | C9H13N3S | CNc1nc(C2CC3CC3N2)cs1 |
|
AD15033 | 1.28 | 121.14 | C7H7ON | CC(=O)c1ccccn1 |
|
AD15034 | 0.93 | 223.25 | C10H9O3NS | CS(=O)(=O)c1ccc2cc[nH]c(=O)c2c1 |
|
AD15035 | -2.59 | 206.24 | C8H18O4N2 | COCC1OC(CN)C(O)C(O)C1N |
|
AD15036 | 2.44 | 797.11 | C41H72O9N4S | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCNC(=S)NCCCc2ccccc2)C(C)C(O)C1(C)O |
|
AD15037 | 3.33 | 488.62 | C28H40O7 | CC(C)C=CC#CC=CC1OC(=O)CC2OC(CC(=O)C3(O)OC(CC3C)C1(C)C)CC(O)C2C |
|
AD15038 | 2.57 | 404.5 | C23H32O6 | CC1CCC2C(C)(C)C(O)C(O)CC2(C)C12Cc1c(O)cc(CO)c(C=O)c1O2 |
|
AD15039 | 4.78 | 672.9 | C39H60O9 | CC=C(C)C(=O)OC1C(OC(=O)C(C)=CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(O)C4CCC3(C)C1(C)C(O)C2O |
|
AD15040 | 3.48 | 361.4 | C22H19O4N | O=C(NC(Cc1ccccc1)C(=O)O)c1cccc(-c2ccccc2O)c1 |