aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05941 | 2.0 | 177.23 | C9H7ONS | NC(=O)c1ccc2ccsc2c1 |
|
AD05942 | 11.44 | 1514.36 | C79H54O18N8Cl2S2 | O=C1NC2C(=O)NC3C(=O)NC4C(=O)NC(C(=O)NC(C(=O)O)c5cc(O)cc(O)c5-c5cc4ccc5O)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)CC1NC(=O)C(n1cc3cc4ccccc4cc3c1Sc1nc3ccccc3s1)c1ccc(O)c(c1)Oc1cc(O)cc2c1 |
|
AD05943 | 2.46 | 248.3 | C13H12O3S | CS(=O)(=O)c1ccc(-c2ccc(O)cc2)cc1 |
|
AD05944 | 0.87 | 115.18 | C6H13ON | CCN(CC)C(C)=O |
|
AD05945 | 0.84 | 342.31 | C12H11O5N4FS | CNc1nc(O)nc(O)c1NC(=O)c1ccc(S(=O)(=O)F)cc1 |
|
AD05946 | 0.68 | 141.09 | C4H6ONF3 | O=CNCCC(F)(F)F |
|
AD05947 | 0.26 | 421.4 | C20H23O9N | COC(C(=NO)C(O)C(C)O)C1Cc2cc3cc(O)cc(O)c3c(O)c2C(=O)C1O |
|
AD05948 | 7.03 | 597.88 | C37H59O5N | CCC(C)C(NC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1)C(=O)OC |
|
AD05949 | 0.32 | 173.21 | C8H15O3N | CCC(C)C(NC=O)C(=O)OC |
|
AD05950 | 5.03 | 261.37 | C19H19N | c1ccc2c(Cc3ccc(C4CCC4)cc3)c[nH]c2c1 |