aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD44421 | 2.18 | 196.23 | C9H8O3S | Cc1c(O)cc2sc(=O)oc2c1C |
|
AD44422 | 1.85 | 221.33 | C11H15N3S | NC(=S)N1CCCCC1c1cccnc1 |
|
AD44423 | 2.1 | 231.12 | C7H7N2SBr | NC(=S)Nc1cccc(Br)c1 |
|
AD44424 | 4.27 | 389.49 | C22H31O5N | CC(C)(C)OC(=O)N1CCC2OC3c4ccc(O)cc4OC(C)(C)C3CC2C1 |
|
AD44425 | 0.97 | 376.45 | C21H28O6 | CC1OC2(O)C(=O)C3C(CC=C4C(O)C(O)CCC43C)C3C(=O)CC1C32C |
|
AD44426 | 3.41 | 384.59 | C13H8N5ClI | CN(c1cccc(I)c1)c1nc(Cl)nc2c1N=C[N]2 |
|
AD44427 | 1.7 | 236.01 | C6H5O2I | Oc1cc(O)cc(I)c1 |
|
AD44428 | 1.69 | 460.44 | C22H24O9N2 | COc1ccc(C2OCC3OC(Oc4ccc([N+](=O)[O-])cc4)C(NC(C)=O)C(O)C3O2)cc1 |
|
AD44429 | 2.71 | 407.49 | C24H27O4N2 | COc1ccccc1OCC[NH2+]CC(O)COc1cccc2[nH]c3ccccc3c12 |
|
AD44430 | 1.92 | 278.04 | C8H7O3I | CC(=O)Oc1cc(O)cc(I)c1 |