aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12791 | 2.4 | 274.3 | C12H9N5FS | Nc1nc2c(c(SCc3ccccc3F)n1)N=C[N]2 |
|
AD12792 | 5.11 | 630.86 | C37H58O8 | CC=C(C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21COC(C)=O |
|
AD12793 | 3.8 | 446.63 | C27H42O5 | CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)C(O)CC5(C)C4CCC3(C)C1(O)C2C |
|
AD12794 | 2.58 | 398.46 | C22H26O5N2 | C=CC1C(O)OC=C(C(=O)OC)C1CC1NCCc2c1[nH]c1ccc(OC)cc21 |
|
AD12795 | 6.61 | 450.58 | C28H34O5 | CCC(C)CC(C)C=C(C=C(C)C=CC=CC=CC=CC=Cc1cc(O)cc(=O)o1)C(=O)O |
|
AD12796 | 7.04 | 492.96 | C21H43O7P2Cl | CCCCCCCCCCCCCCCCOCC(Cl)CP(=O)(O)OP(=O)(O)OC |
|
AD12797 | 2.65 | 271.19 | C12H8O3NF3 | O=c1[nH]ccc(O)c1-c1ccc(OC(F)(F)F)cc1 |
|
AD12798 | 0.03 | 208.26 | C10H16ON4 | CNCc1cnc(N2CCOCC2)nc1 |
|
AD12799 | 3.1 | 530.72 | C27H46O8S | CC(C)C(O)C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(OS(=O)(=O)O)CC3C(O)CC12O |
|
AD12800 | -0.96 | 125.11 | C4H5ON4 | CC(=O)NC1=N[N]C=N1 |