aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD15541 | -0.65 | 170.21 | C8H14O2N2 | C#CCN(C)CCC(N)C(=O)O |
|
AD15542 | -2.35 | 738.68 | C32H43O14N4P | COP(=O)([O-])OC1(C(=O)[O-])CC(O)C(NC(=O)Cn2cc(C3(O)CCC4C5CCc6cc(O)ccc6C5CCC43C)nn2)C(C(O)C(O)CO)O1 |
|
AD15543 | 0.92 | 176.2 | C8H10N5 | CCCc1nc(N)c2c(n1)[N]C=N2 |
|
AD15544 | -1.17 | 328.35 | C13H16O6N2S | NC(=O)COC1OC(C(=O)NCc2cccs2)=CC(O)C1O |
|
AD15545 | 3.88 | 302.41 | C19H26O3 | C=CC1(C)CCc2c3c(c(O)c(O)c2C1O)C(C)(C)CCC3 |
|
AD15546 | 3.95 | 481.6 | C30H31O3N3 | O=C(C(c1ccccc1)c1ccccc1)N1CCN(CC(O)COc2cccc3ncccc23)CC1 |
|
AD15547 | 1.33 | 269.29 | C13H13ON6 | Nc1nc(NCCc2ccc(O)cc2)nc2c1N=C[N]2 |
|
AD15548 | -1.14 | 342.26 | C8H6O11S2 | COC(=O)c1cc(OS(=O)(=O)[O-])c(O)c(OS(=O)(=O)[O-])c1 |
|
AD15549 | -1.23 | 328.23 | C7H4O11S2 | O=C(O)c1cc(OS(=O)(=O)[O-])c(O)c(OS(=O)(=O)[O-])c1 |
|
AD15550 | -0.71 | 336.44 | C11H20O4N4S2 | CNS(=O)(=O)NC(=O)CCCCC1SCC2NC(=O)NC21 |