aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16221 | -1.74 | 366.4 | C15H18O5N4S | COC12C(COC(N)=O)C3=C(C(=O)C(CS)=C(N)C3=O)N1CC1NC12 |
|
AD16222 | 2.5 | 227.19 | C10H8N3F3 | Cn1cc(-c2ccccc2C(F)(F)F)nn1 |
|
AD16223 | 2.89 | 279.39 | C13H19ON4S | CCCCn1c2c(c(=O)n(CCCC)c1=S)[N]C=N2 |
|
AD16224 | 6.36 | 472.75 | C31H52O3 | C=C(CCC(C)C1C(O)CC2(C)C3CC(O)C4C(C)(C)C(O)CCC45CC35CCC12C)C(C)C |
|
AD16225 | 1.7 | 336.34 | C17H20O7 | COc1c(C)c2c(c(O)c1CC=C(C)C(O)CC(=O)O)C(=O)OC2 |
|
AD16226 | 2.72 | 218.24 | C10H5N3FS | FC1=C[N]c2ncnc(-c3ccsc3)c21 |
|
AD16227 | 0.12 | 182.2 | C9H12O3N | O=C(O)c1c[nH+]cc(CCCO)c1 |
|
AD16228 | -1.14 | 123.11 | C6H5O2N | O=C([O-])c1ccc[nH+]c1 |
|
AD16229 | 5.13 | 427.44 | C23H26O5NP | COP(=O)(NC(C)C(=O)OCCCc1ccccc1)Oc1cccc2ccccc12 |
|
AD16230 | 5.03 | 425.49 | C20H28O5NPS | COP(=O)(NC(CCCSC)C(=O)OC(C)C)Oc1cccc2ccccc12 |