aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13081 | -2.55 | 151.11 | C4H3ON6 | Nc1nc(O)nc2c1=N[N]N=2 |
|
AD13082 | 2.84 | 240.31 | C13H10N3S | C1=CC=CC(Sc2ncnc3c2C=C[N]3)C=C1 |
|
AD13083 | -1.67 | 163.24 | C6H13O2NS | C[S+](C)CCC(N)C(=O)[O-] |
|
AD13084 | 3.42 | 419.56 | C24H37O5N | C=C1CC23CCC4C(C)(C(=O)OCCC(N)C(=O)O)CCCC4(C)C2CCC1(O)C3 |
|
AD13085 | 4.6 | 529.7 | C29H39O6NS | CCC1OC(=O)CC(O)C(C)C(O)CCC(CC=C2Nc3ccccc3S2)C(=O)C=CC(C)=CC1CO |
|
AD13086 | 2.93 | 464.6 | C26H40O7 | CCC1OC(=O)CC(O)C(C)C(O)C(CC=CC(C)=O)CC(C)C(=O)C=CC(C)=CC1CO |
|
AD13087 | 0.51 | 220.28 | C10H16N6 | Cn1cc(CCCCc2cn(C)nn2)nn1 |
|
AD13088 | 0.53 | 199.21 | C12H9O2N | O=C([O-])c1c[nH+]ccc1-c1ccccc1 |
|
AD13089 | -2.78 | 387.48 | C17H33O5N5 | CCNC1CC(N)C(OC2OC(CNC(=O)C(C)N)=CCC2N)C(O)C1O |
|
AD13090 | 0.56 | 165.15 | C7H7O2N3 | OCc1cc(-c2ncc[nH]2)no1 |