aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04021 | 0.15 | 384.34 | C20H16O8 | O=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)CC(O)(C(=O)CO)CC3O |
|
AD04022 | 1.9 | 232.27 | C11H14ON5 | CCCCCC(=O)Nc1ncnc2c1N=C[N]2 |
|
AD04023 | 3.57 | 262.63 | C11H12O4PCl | COP1(=O)OCCC(c2cccc(Cl)c2)O1 |
|
AD04024 | 1.19 | 1125.5 | C54H53O18N8Cl | CC1OC(OC2c3cccc(c3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C(N)C(=O)NC(CC(N)=O)C(=O)NC4C(=O)NC3C(=O)NC2C(=O)NC(C(=O)O)c2cc(O)cc(O)c2-c2cc3ccc2O)CC(C)(N)C1O |
|
AD04025 | 3.55 | 304.8 | C16H13ON2ClS | CC(=O)C1=C(C)NC(S)=C(C#N)C1c1ccc(Cl)cc1 |
|
AD04026 | 1.46 | 148.23 | C6H12O2S | CSC(C(=O)O)C(C)C |
|
AD04027 | -2.39 | 480.61 | C23H40O5N6 | NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)CCC2N)C(NCc2ccccc2)C1O |
|
AD04028 | 2.01 | 239.26 | C13H11ON4 | C1=Nc2c(ncnc2OCCc2ccccc2)[N]1 |
|
AD04029 | -1.69 | 166.16 | C6H8ON5 | OC1CN=C(C2=N[N]C=N2)NC1 |
|
AD04030 | 0.35 | 131.13 | C4H9O2N3 | [O-][N+](=NO)N1CCCC1 |