aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16231 | 7.73 | 496.78 | C33H52O3 | C=CCOC(=O)C12CCC(C)C(C)C1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2 |
|
AD16232 | -2.15 | 826.01 | C38H67O11N9 | CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)C(C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)O |
|
AD16233 | 2.26 | 286.3 | C12H8O2N5S | O=[N+]([O-])c1ccc(CSc2ncnc3c2C=N[N]3)cc1 |
|
AD16234 | 6.09 | 324.39 | C16H11F3S2 | FC(F)(F)c1ccccc1Cc1ccc(-c2ccsc2)s1 |
|
AD16235 | 4.87 | 281.38 | C17H15ONS | c1coc(-c2cnc(Cc3ccccc3C3CC3)s2)c1 |
|
AD16236 | 3.86 | 533.62 | C30H29O2N8 | O=C(NCCNC(=O)c1nc2c(c(NCC(c3ccccc3)c3ccccc3)n1)N=C[N]2)NCc1ccccc1 |
|
AD16237 | 1.58 | 311.29 | C17H13O5N | COc1cccc2c1C(=O)c1c(OC)cc(C(N)=O)cc1C2=O |
|
AD16238 | -0.7 | 176.0 | CH6O6P2 | O=P(O)(O)CP(=O)(O)O |
|
AD16239 | 3.32 | 316.8 | C15H11N5ClS | CCCNc1nc(C#Cc2ccc(Cl)s2)nc2c1N=C[N]2 |
|
AD16240 | -0.88 | 486.66 | C23H46O5N6 | CC(C)CC(NC(=O)C(N)C(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C)CCO |