aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD19291 | -0.24 | 207.22 | C8H11ON6 | CC(O)CNc1nc(N)nc2c1N=C[N]2 |
|
AD19292 | 4.57 | 281.81 | C15H16ONClS | CCCCOc1cnc(Cc2ccccc2Cl)s1 |
|
AD19293 | 1.05 | 119.23 | C5H13NS | NCCCCCS |
|
AD19294 | 1.97 | 266.26 | C14H9N5F | CNc1nc(C#Cc2ccc(F)cc2)nc2c1N=C[N]2 |
|
AD19295 | 1.9 | 207.34 | C9H21O2NS | CCCCCCCCS(=O)(=O)NC |
|
AD19296 | 5.27 | 710.93 | C40H54O9S | CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC(Sc3ccccc3)C3(O)COC4C(O)C(C)=CC(C(=O)O1)C43O)O2 |
|
AD19297 | 0.01 | 105.16 | C3H7ONS | CC(=O)NCS |
|
AD19298 | 0.86 | 165.2 | C6H5N4S | Nc1cc2c(c(S)n1)N=C[N]2 |
|
AD19299 | 3.26 | 877.13 | C45H76O11N6 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)Cc3ccccc3-c3cn(CCCCCCC(=O)NO)nn3)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O |
|
AD19300 | 0.93 | 1635.49 | C78H85O24N13Cl2 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(N)Cc4ccc(O)cc4)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |