aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16831 | 0.23 | 382.4 | C13H12O5N5S2 | Nc1nc(S(=O)(=O)CCc2ccc(S(=O)(=O)O)cc2)nc2c1N=C[N]2 |
|
AD16832 | 3.61 | 312.36 | C19H14N5 | C1=Nc2c(ncnc2NCC2c3ccccc3-c3ccccc32)[N]1 |
|
AD16833 | 5.48 | 780.91 | C42H56O12N2 | COC(=O)NC1C(C)OC(OC2CC=C(C)C3C=CC4C(O)C(C)CC(C)C4C3(C)C(=O)C3=C(O)C4(CC(C)C(C=O)=CC4C=C2C)OC3=O)CC1(C)[N+](=O)[O-] |
|
AD16834 | 5.46 | 534.08 | C27H32O5N3ClS | CC(C)N1CCC(C(=O)Nc2c(OCCCO)cccc2OCc2cc(-c3ccc(Cl)s3)on2)CC1 |
|
AD16835 | 2.86 | 787.05 | C39H67O9N4FS | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=S)Nc2ccc(F)cc2)C(C)C(O)C1(C)O |
|
AD16836 | 4.05 | 775.04 | C42H70O9N4 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2OCCCNc2ccnc3ccccc23)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O |
|
AD16837 | 0.29 | 358.36 | C16H18O4N6 | COCCOc1nc(N)c2nc(O)n(Cc3ccc(C(N)=O)cc3)c2n1 |
|
AD16838 | 4.51 | 468.63 | C29H40O5 | CC(COC(=O)c1ccccc1)C1(O)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C |
|
AD16839 | 2.7 | 247.02 | C9H2O3N3Cl2 | O=[N+]([O-])c1c(Cl)c(Cl)cc2c1N=C(O)[N]2 |
|
AD16840 | 3.03 | 202.26 | C12H14ON2 | CC(C)(C)c1ccc(-c2nnco2)cc1 |