aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20311 | 3.92 | 500.68 | C30H44O6 | CC1CC23OCC(C)(O)C2OC2(O3)C1C1(C)CCC34CC35CCC(O)C(C)(C)C5CC=C4C1(C)C2O |
|
AD20312 | 2.38 | 218.28 | C11H16N5 | CCCCC(C)Nc1ncnc2c1N=C[N]2 |
|
AD20313 | -0.29 | 127.1 | C4H4N4F | N=C1N=C(N)[N]C=C1F |
|
AD20314 | 8.35 | 626.93 | C40H58O2N4 | Cc1ccccc1-n1cc(CNC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C2(C)CC3)nn1 |
|
AD20315 | 2.84 | 334.41 | C19H26O5 | C=CC1(C)CCC2=C(C(=O)OC23CCCC(C)(C)C3C(=O)O)C1O |
|
AD20316 | 4.44 | 1005.09 | C54H60O15N4 | CC(=O)OC1C(=O)C2(C)C(O)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 |
|
AD20317 | 1.7 | 821.03 | C41H68O11N6 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)Cc3ccc(-c4cn(CCC(=O)NO)nn4)cc3)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O |
|
AD20318 | 1.31 | 153.18 | C8H11O2N | CCC(=O)NCc1ccco1 |
|
AD20319 | 0.45 | 326.32 | C14H14O2N8 | Cn1cc(NC(=O)c2cccc(C(=O)Nc3cn(C)nn3)c2)nn1 |
|
AD20320 | 4.6 | 360.32 | C13H14ON2F6S | CSCCCNC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 |