aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD01431 | 1.94 | 284.28 | C13H11N7F | CC(=NNc1nc(N)c2c(n1)[N]C=N2)c1ccc(F)cc1 |
|
AD01432 | 6.31 | 510.72 | C32H46O5 | CC(=O)OC1CC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC23C(=O)OC(C)(C=CC=C(C)C)C13 |
|
AD01433 | 5.91 | 548.81 | C33H56O6 | COC(C)(C)C(O)C1CC(C)C2(CCC3(C)C2CCC2C4(C)CCC(OC(C)=O)C(C)(C)C4CC(O)C23C)O1 |
|
AD01434 | -0.65 | 246.31 | C11H22O4N2 | COC1C(C)OC(O)CC1(C)NC(=O)C(C)N |
|
AD01435 | 2.71 | 251.06 | C11H8O4Cl2 | COc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O |
|
AD01436 | 5.25 | 534.78 | C32H54O6 | CC(=O)OC1CCC2(C)C(CC(O)C3(C)C2CCC2C4(CCC23C)OC(C(O)C(C)(C)O)CC4C)C1(C)C |
|
AD01437 | -2.09 | 2189.8 | C106H134O29N21Cl | CCCCC(=O)NC(CC(N)=O)C(=O)NCC1C(=O)NC(c2ccc(O)cc2)C(=O)NC(CCCN)C(=O)NC(C(C)C)C(=O)NC(c2ccc(O)cc2)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(Cc2ccccc2)C(=O)NC(CCCN)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(c2ccc(O)cc2)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(c2ccc(O)c(Cl)c2)C(=O)OC1C(N)=O |
|
AD01438 | 2.69 | 380.43 | C19H22O2N7 | CC(C)(C)OC(=O)CCc1ccc(C=NNc2nc(N)c3c(n2)[N]C=N3)cc1 |
|
AD01439 | 3.32 | 235.33 | C14H21O2N | CC(C)C(OCc1ccccc1)C(C)C=NO |
|
AD01440 | 2.68 | 277.74 | C13H8ON3ClS | CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1 |