aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13841 | 2.61 | 347.41 | C19H25O5N | CC(C)n1cc(C(=O)O)c(=O)c2cc(CCCOCCCO)ccc21 |
|
AD13842 | 1.52 | 347.37 | C18H21O6N | O=C(O)c1cn2c3c(cc(CCCOCCCO)cc3c1=O)COC2 |
|
AD13843 | 2.95 | 718.62 | C36H30O16 | O=C(OC(Cc1ccc(O)c(O)c1)C(=O)O)C1=Cc2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)C1C(=O)OC(Cc1ccc(O)c(O)c1)C(=O)O |
|
AD13844 | 0.76 | 732.81 | C37H45O7N8F | NC1CC(NC(=O)CCCc2cn(Cc3ccc(CN4CCN(c5cc6c(cc5F)c(=O)c(C(=O)O)cn6C5CC5)CC4)cc3)nn2)C(O)C(O)C1O |
|
AD13845 | 8.93 | 510.76 | C26H55O5PS | CCCCCCCCCCCCSCC(COP(=O)(O)OC)OCCCCCCCCCC |
|
AD13846 | -3.0 | 351.35 | C14H25O9N | CC(=O)NC1C(O)CC(O)(C(=O)OC(C)C)OC1C(O)C(O)CO |
|
AD13847 | 3.52 | 378.43 | C22H22O4N2 | COC(c1ccccc1)(c1ccccc1)C(Oc1nc(C)cc(C)n1)C(=O)O |
|
AD13848 | 3.51 | 612.76 | C34H48O8N2 | CCC(=O)OC1CC(=O)OCCC(C=CCc2cncc3ccccc23)CN(C)CC(O)C(C)CC(CC=O)C(O)C1OC |
|
AD13849 | 3.1 | 520.77 | C20H32O4N4S4 | COC(=O)c1cc(NC(S)=NCCSCCCO)cc(NC(S)=NCCSCCCO)c1 |
|
AD13850 | 0.98 | 283.31 | C14H15ON6 | Nc1nc(NC(CO)Cc2ccccc2)nc2c1N=C[N]2 |