aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD19131 | -0.97 | 255.29 | C8H17O6NS | COCC(C)(C)C(O)C(=O)NS(=O)(=O)OC |
|
AD19132 | 4.08 | 334.87 | C19H19O2ClS | [O-][S+]1CC(CCOc2ccc(Cc3ccccc3Cl)cc2)C1 |
|
AD19133 | 0.83 | 234.23 | C11H11ON4F | CNC(=O)Cn1cc(-c2cccc(F)c2)nn1 |
|
AD19134 | 3.24 | 304.78 | C17H17O2N2Cl | O=C(NC1CCCCC1)c1c[nH]c2ccc(Cl)cc2c1=O |
|
AD19135 | -3.72 | 544.6 | C19H32O7N10S | Cn1cc(CSCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(N)CCCNC(=N)N)C(=O)O)nn1 |
|
AD19136 | -0.58 | 261.24 | C6H16O6NPS | COC(C)(CN(C)S(C)(=O)=O)P(=O)(O)O |
|
AD19137 | 5.81 | 458.68 | C29H46O4 | CC1(C)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C3CCC3C(C)(C)C(O)CCC43C)C2C1 |
|
AD19138 | 1.31 | 356.33 | C19H16O7 | CC1(O)Cc2c(O)c3c(c(O)c2C(O)C1)C(=O)c1c(O)cccc1C3=O |
|
AD19139 | 4.8 | 1324.2 | C68H64O16N10Cl2 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NNCc4ccc(-c5ccccc5)cc4)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD19140 | 4.75 | 779.02 | C43H70O12 | CCC1C(O)CC(O)(C(C)C(O)C(C)C2OC(=O)C=CC=CC(C)C(C(C)C(O)C(C)C3(O)CC(O)C(CC)C(C)O3)OC(=O)C(C)=CC=CC2C)OC1C |