aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD18811 | 3.39 | 276.72 | C16H13O3Cl | O=C(O)COc1ccc(Cc2ccccc2Cl)cc1 |
|
AD18812 | -2.81 | 1233.36 | C59H92O27 | CC1OC2OC3C(OCC(O)C3O)OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(COC(=O)CC(C)(O)CC(=O)OC1C(O)C2O)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C3(C)CC4O |
|
AD18813 | -0.24 | 143.14 | C6H9O3N | C=CC(=O)NC(C)C(=O)O |
|
AD18814 | 1.44 | 158.18 | C9H8N3 | C=CC1=C[N]c2nccc(N)c21 |
|
AD18815 | -1.48 | 167.13 | C5H5O2N5 | Nc1nc2[nH]c(=O)[nH]c2c(=O)[nH]1 |
|
AD18816 | 0.5 | 248.28 | C13H16O3N2 | COc1cccc(CN2CCN(C=O)CC2=O)c1 |
|
AD18817 | 0.97 | 201.19 | C9H7ON5 | Nc1ncnn2ccc(-c3ncco3)c12 |
|
AD18818 | 4.45 | 286.79 | C16H11N2ClS | Clc1ccccc1Cc1ccc(-c2cccs2)nn1 |
|
AD18819 | 0.68 | 281.34 | C12H15O3N3S | CNS(=O)(=O)NC(=O)CCc1c[nH]c2ccccc12 |
|
AD18820 | 2.07 | 807.99 | C41H61O8N9 | CN(C)CCCc1cc2c3c(c(NCCCn4cc(COCCOCCOCCO)nn4)cc4c3c1C(=O)N(CCCN(C)C)C4=O)C(=O)N(CCCN(C)C)C2=O |