aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11231 | 7.34 | 687.24 | C43H39O5N2Cl | CN(C)c1ccc2c(-c3ccc(C(=O)CCCCOc4ccc(Cc5ccccc5Cl)cc4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 |
|
AD11232 | -0.54 | 184.18 | C6H4O3N2S | C#CSc1cn(O)c(=O)[nH]c1=O |
|
AD11233 | 2.36 | 242.31 | C13H16N5 | CCCCC#Cc1nc2c(c(NCC)n1)N=C[N]2 |
|
AD11234 | 1.34 | 230.28 | C10H8N5S | Nc1nc(N)c2c(n1)[N]C=C2c1ccsc1 |
|
AD11235 | 1.62 | 258.14 | C8H8N3SBr | NC(=S)NN=Cc1cccc(Br)c1 |
|
AD11236 | 4.64 | 247.34 | C18H17N | c1ccc2c(Cc3ccc(C4CC4)cc3)c[nH]c2c1 |
|
AD11237 | 4.32 | 235.33 | C17H17N | CCc1ccc(Cc2c[nH]c3ccccc23)cc1 |
|
AD11238 | 3.07 | 511.66 | C26H39O8S | CC(=O)CC(=O)CC(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC21C |
|
AD11239 | 5.33 | 332.83 | C22H17N2Cl | Clc1ccccc1Cc1ccc2c(cnn2Cc2ccccc2)c1 |
|
AD11240 | 3.47 | 318.76 | C18H15O4Cl | Clc1c(Cc2ccc3c(c2)OCCO3)ccc2c1OCCO2 |