aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05811 | 1.63 | 197.31 | C9H15N3S | CN(C)c1nc(C2CCCN2)cs1 |
|
AD05812 | 6.86 | 608.73 | C37H40O6N2 | COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(Cc1ccc(O)c(c1)Oc1ccc(cc1)CC3N(C)CC2)N(C)CC4 |
|
AD05813 | 0.87 | 137.14 | C7H7O2N | COC(=O)c1cccnc1 |
|
AD05814 | 4.27 | 379.41 | C22H21O5N | CC(C)=CCc1cc(C(=O)Nc2cc3ccc(O)c(C)c3oc2=O)ccc1O |
|
AD05815 | 4.61 | 286.8 | C19H19OCl | COCC1(c2ccc(Cc3ccccc3Cl)cc2)CC1 |
|
AD05816 | 2.73 | 282.1 | C15H7O3Cl2 | O=C([O-])c1ccc(-c2c(Cl)cc(O)cc2Cl)cc1 |
|
AD05817 | 3.52 | 292.37 | C17H18N5 | C1=Nc2c(ncnc2NC2CCCCC2c2ccccc2)[N]1 |
|
AD05818 | 3.18 | 346.42 | C19H20N7 | CC(C)(C)c1ccc(Cn2cc(-c3nc(N)c4c(n3)[N]C=N4)cn2)cc1 |
|
AD05819 | 1.97 | 226.26 | C12H12N5 | CC(C)=CCNc1ncnc2c1C(C#N)=C[N]2 |
|
AD05820 | 4.02 | 404.59 | C25H40O4 | CCCC(=O)C(C)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C |