aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD15221 | 3.07 | 288.86 | C16H29ON2Cl | CCCCCCCC1CNC(C(=O)NCC(C)Cl)C1 |
|
AD15222 | 2.58 | 280.31 | C15H14ON5 | Oc1cccc2c1CCCC2Nc1ncnc2c1N=C[N]2 |
|
AD15223 | -0.72 | 107.1 | C4H3N4 | N#CC1=C(N)[N]C=N1 |
|
AD15224 | -0.47 | 88.11 | C4H8O2 | OCC=CCO |
|
AD15225 | 0.91 | 208.26 | C11H16O2N2 | CNC(=O)OCC(N)Cc1ccccc1 |
|
AD15226 | 6.78 | 1487.8 | C76H74O19N9Cl3 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(NCc4ccc(-c5ccc(Cl)cc5)cc4)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD15227 | 1.24 | 364.4 | C18H24O6N2 | O=C(NCc1ccc(CNC(=O)OCC=CCO)cc1)OCC=CCO |
|
AD15228 | 1.78 | 256.22 | C12H7ON5F | O=C(Nc1ncnc2c1N=C[N]2)c1ccc(F)cc1 |
|
AD15229 | 2.21 | 470.3 | C21H10O13 | O=C(O)c1cc(O)c(O)c(O)c1Oc1c(O)cc2c(=O)oc3c(O)c(O)cc4c(=O)oc1c2c34 |
|
AD15230 | 1.32 | 217.26 | C10H13N6 | Nc1nc2c(c(NC3CCCC3)n1)N=C[N]2 |