aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD09331 | 4.44 | 292.33 | C19H16O3 | COc1cc(-c2ccccc2)c(O)c(O)c1-c1ccccc1 |
|
AD09332 | 2.08 | 304.25 | C15H12O7 | COc1c(O)ccc2c(=O)c3c(O)cc(O)c(OC)c3oc12 |
|
AD09333 | 5.14 | 1156.26 | C61H69O16N7 | CC(=O)OC1C(=O)C2(C)C(OC(=O)CCCc3cn(C)nn3)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)CCCc3cn(C)nn3)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C |
|
AD09334 | 3.02 | 201.22 | C12H11O2N | COC(=O)Nc1cccc2ccccc12 |
|
AD09335 | 4.38 | 601.68 | C32H36O4N7F | O=CNc1ccc(-c2cn(CCCCCCN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)nn2)cc1 |
|
AD09336 | -0.96 | 106.02 | C2H3O3P | C=CP(=O)([O-])[O-] |
|
AD09337 | 4.37 | 621.67 | C34H32O4N7F | O=CNc1ccc(-c2cn(Cc3ccc(CN4CCN(c5cc6c(cc5F)c(=O)c(C(=O)O)cn6C5CC5)CC4)cc3)nn2)cc1 |
|
AD09338 | 2.42 | 208.24 | C13H10N3 | Cc1ncnc2c1C(c1ccccc1)=C[N]2 |
|
AD09339 | 1.0 | 275.35 | C16H21O3N | C#Cc1ccc(CNC2(C)CC(O)OC(C)C2O)cc1 |
|
AD09340 | 1.36 | 262.26 | C14H14O5 | CC1(C)Oc2ccc3ccc(=O)oc3c2C(O)C1O |