aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12351 | 2.17 | 245.31 | C12H17N6 | CCNc1nc2c(c(NC3CCCC3)n1)N=C[N]2 |
|
AD12352 | 4.92 | 363.27 | C19H12ON2Cl2S | O=c1[nH]cc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(=S)[nH]1 |
|
AD12353 | 3.98 | 488.71 | C30H48O5 | CC1(CO)CCC2(CO)C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC2O)C1 |
|
AD12354 | 0.01 | 145.55 | C5H4ON3Cl | Nc1nc(=O)[nH]cc1Cl |
|
AD12355 | 1.59 | 182.22 | C10H14O3 | CCOc1ccc(CO)cc1OC |
|
AD12356 | -0.63 | 224.28 | C7H16O4N2S | COS(=O)(=O)NC(=O)C(N)C(C)(C)C |
|
AD12357 | 5.77 | 314.51 | C22H34O | CC1(C)C(=O)CCC23CC24CCC2(C)CCCC2(C)C4CCC13 |
|
AD12358 | 2.15 | 643.86 | C33H61O9N3 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC3C2OC(=NC(C)C)N3C)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O |
|
AD12359 | 0.92 | 170.21 | C7H8O2NS | CSc1c[nH+]cc(C(=O)O)c1 |
|
AD12360 | 8.34 | 638.9 | C40H54O3N4 | CC1(C)CCC2(C(=O)OCc3cn(-c4ccc(C#N)cc4)nn3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |