aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00051 | 0.24 | 128.16 | C4H4ON2S | NC(=O)c1cscn1 |
|
AD00052 | 4.38 | 310.49 | C15H22ON2S2 | CNc1cccc(NC(=O)CCCCC2CCSS2)c1 |
|
AD00053 | -0.56 | 112.11 | CH4O4S | COS(=O)(=O)O |
|
AD00054 | 1.54 | 165.19 | C9H11O2N | COC(=O)NCc1ccccc1 |
|
AD00055 | 2.39 | 236.69 | C11H11N5Cl | Clc1nc2c(c(NC3CCCC3)n1)N=C[N]2 |
|
AD00056 | -0.55 | 90.08 | C3H6O3 | CC(O)C(=O)O |
|
AD00057 | 1.91 | 410.25 | C14H20O10P2 | COc1c(C)c2c(c(O)c1CCOP(=O)(O)CP(=O)(O)OC)C(=O)OC2 |
|
AD00058 | -0.03 | 134.12 | C5H4N5 | Nc1ncnc2c1N=C[N]2 |
|
AD00059 | 1.63 | 604.83 | C31H60O9N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(OC)C1(C)O |
|
AD00060 | 1.74 | 415.49 | C22H29O5N3 | CCn1cc(C(=O)O)c(=O)c2cc(CCCN3CCN(CCC(=O)O)CC3)ccc21 |