aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD17581 | 0.4 | 198.16 | C10H4O2N3 | O=C1C2=N[N]N=C2C(=O)c2ccccc21 |
|
AD17582 | 3.55 | 254.31 | C14H10ON2S | O=C(Nc1cccc2ccccc12)c1cscn1 |
|
AD17583 | 2.52 | 186.29 | C11H22O2 | C=CCCCCCCCOCCO |
|
AD17584 | 0.8 | 736.95 | C37H64O9N6 | NC(Cc1ccc(O)cc1)C(=O)NC(CCC(=O)NCCCCCCO)C(=O)NC(CCC(=O)NCCCCCCO)C(=O)NCCCCCCO |
|
AD17585 | 2.6 | 344.32 | C18H16O7 | COCCOc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 |
|
AD17586 | 5.02 | 546.75 | C32H50O7 | CC(=O)OC1(C)CCC(O)C(C)(C)C1CCC(C)=CCC(O)C=C(C)C(=O)CC1C(C)(O)C=CC(=O)C1(C)C |
|
AD17587 | 1.84 | 796.92 | C41H61O14F | CC1C=CC=CC=CC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)C(F)C(O)C2C(=O)O |
|
AD17588 | 4.34 | 514.69 | C21H43O6N2PS2 | COP(=O)(NC(CCSC)C(=O)OCC(C)(C)C)NC(CCSC)C(=O)OCC(C)(C)C |
|
AD17589 | 1.84 | 285.38 | C15H21N6 | CN(C)C1CC2CCCC(C1)N2c1ncnc2c1N=C[N]2 |
|
AD17590 | 0.06 | 143.19 | C6H13ON3 | NC(=O)NN1CCCCC1 |