aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05511 | 0.76 | 291.28 | C9H7O2N8S | Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1N=C[N]2 |
|
AD05512 | -1.22 | 221.3 | C8H17O3N2S | C[S+](C)CCC(NC(=O)CN)C(=O)O |
|
AD05513 | 2.8 | 330.73 | C16H11O3N4Cl | O=C(O)NNC(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1 |
|
AD05514 | 4.76 | 432.65 | C27H44O4 | COC1CC(C)C2C(CC3(C)C4CC(O)C5C(C)(C)C(O)CCC56CC46CCC23C)O1 |
|
AD05515 | 0.76 | 216.22 | C10H10ON5 | CC#CCCOc1nc(N)c2c(n1)[N]C=N2 |
|
AD05516 | -3.81 | 1131.36 | C46H68O11N17S3 | Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)CC(=O)NC3CC3)cs2)cs1)C(C)O)C(O)c1c[nH]cn1 |
|
AD05517 | 2.05 | 341.28 | C15H11O5N5 | O=C(O)NNC(=O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2c1 |
|
AD05518 | 3.22 | 478.49 | C24H30O10 | COc1cc(C2OCC3C(c4cc(O)c(OC)c(OC)c4O)OCC23)c(OC)c(OC)c1OC |
|
AD05519 | 2.94 | 462.45 | C23H26O10 | COc1c(O)cc(C2OCC3C(c4cc5c(c(OC)c4OC)OCO5)OCC23)c(O)c1OC |
|
AD05520 | -0.2 | 183.1 | C4H10O5NP | COP(=O)(O)NCCC(=O)O |