aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12201 | -0.44 | 138.13 | C5H6ON4 | O=c1[nH]cnc2c1NCN2 |
|
AD12202 | -0.66 | 192.21 | C7H10N7 | NCCNc1nc(N)c2c(n1)[N]C=N2 |
|
AD12203 | 2.19 | 240.22 | C13H8O3N2 | O=C(O)c1cccc2nc3c(O)cccc3nc12 |
|
AD12204 | 5.14 | 358.56 | C21H42O4 | CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO |
|
AD12205 | 5.36 | 543.79 | C33H53O5N | CC1(CNC(CO)C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD12206 | 1.28 | 125.15 | C7H8NF | NCc1ccc(F)cc1 |
|
AD12207 | 6.17 | 468.68 | C30H44O4 | C=C(C)CCCC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CC(=O)C13 |
|
AD12208 | 1.56 | 179.26 | C11H17ON | O=CNC1C2CC3CC(C2)CC1C3 |
|
AD12209 | 3.27 | 509.48 | C27H19O6N5 | O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1cncc(CO)c1 |
|
AD12210 | 4.25 | 503.47 | C28H17O5N5 | N#Cc1ccc(CNN2C(=O)c3c(c4c5ccc(O)cc5n(O)c4c4[nH]c5cc(O)ccc5c34)C2=O)cc1 |