aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD01461 | 0.84 | 445.9 | C20H28O7N3Cl | COCC1C(CO)OC(N(Cc2ccc(C)cc2)C(=O)N(CCCl)N=O)C(O)C1O |
|
AD01462 | 1.75 | 447.44 | C21H19O4N8 | O=C(O)c1ccc(CNC(=O)c2cnn(-c3nc4c(c(NC5CCCO5)n3)N=C[N]4)c2)cc1 |
|
AD01463 | 2.19 | 421.42 | C20H18O2N8F | O=C(NCc1ccc(F)cc1)c1cnn(-c2nc3c(c(NC4CCCO4)n2)N=C[N]3)c1 |
|
AD01464 | 0.62 | 168.57 | C6H3N5Cl | Nc1nc(Cl)c2c(n1)[N]C=N2 |
|
AD01465 | -1.08 | 242.23 | C11H14O6 | COC(=O)C1=COC(O)C2C1C=CC2(O)CO |
|
AD01466 | 2.81 | 220.3 | C9H6N3S2 | CSc1ncnc2c1-c1ccsc1[N]2 |
|
AD01467 | 4.71 | 254.81 | C13H11ClS2 | CSc1ccc(Cc2ccsc2Cl)cc1 |
|
AD01468 | 3.41 | 304.4 | C14H12O2N2S2 | Cc1csc(NS(=O)(=O)c2ccc3ccccc3c2)n1 |
|
AD01469 | -1.58 | 160.22 | C7H16O2N2 | NC1CCNC(CO)CC1O |
|
AD01470 | 4.93 | 530.67 | C31H38O4N4 | Cc1cc2nc3c(=O)n(CCCCCOC(=O)C(C)c4ccc(CC(C)C)cc4)c(=O)nc-3n(C)c2cc1C |