aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05901 | 5.04 | 319.38 | C19H13O2NS | Oc1c(O)c(-c2ccccc2)c2scnc2c1-c1ccccc1 |
|
AD05902 | -0.81 | 2259.85 | C112H132O29N21Cl | CC(C)CC1NC(=O)CNC(=O)C(c2ccc(O)cc2)NC(=O)C(C(C)O)NC(=O)C(c2ccc(O)cc2)NC(=O)C(CCCN)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)O)NC(=O)C(c2ccc(O)cc2)NC(=O)C(c2ccc(O)cc2)NC(=O)C(C(C)C)NC(=O)C(CCCN)NC(=O)C(c2ccc(O)cc2)NC(=O)C(CNC(=O)C(CC(N)=O)NC(=O)c2cccc3ccccc23)C(C(N)=O)OC(=O)C(c2ccc(O)c(Cl)c2)NC(=O)C(C)NC1=O |
|
AD05903 | 0.94 | 119.19 | C4H9ONS | CCN=C(S)OC |
|
AD05904 | 3.2 | 335.13 | C12H8N4I | IC1=C[N]c2ncnc(Nc3ccccc3)c21 |
|
AD05905 | 1.99 | 239.23 | C13H9O2N3 | NC(=O)c1nc(-c2ccc3ccccc3c2)no1 |
|
AD05906 | 1.7 | 162.19 | C10H10O2 | O=C1CCC(O)c2ccccc21 |
|
AD05907 | 3.66 | 345.79 | C18H16O3N3Cl | COc1nc(N(C)C)ccc1-c1cc2c(C(=O)O)c[nH]c2cc1Cl |
|
AD05908 | 1.41 | 180.2 | C10H12O3 | COc1cc(C=CCO)ccc1O |
|
AD05909 | 2.44 | 360.41 | C20H24O6 | COc1cc(CC(CO)c2cc(C=CCO)cc(OC)c2O)ccc1O |
|
AD05910 | 1.75 | 404.5 | C23H32O6 | CC12CCC3C(CCC4CC(O)C(O)CC43C=O)C1(O)CCC2C1=CC(=O)OC1 |