aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22211 | 5.03 | 704.72 | C36H43O5N5Cl2S | CN(C)C(=O)CCC(NC(=O)CCCCc1cc(Cl)c(CN2CSCC2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl)C(=O)O |
|
AD22212 | 4.41 | 241.72 | C16H12NCl | Clc1cccc2[nH]cc(Cc3ccccc3)c12 |
|
AD22213 | 4.4 | 485.42 | C23H18O4N5F3 | CC(C)OC(=O)c1cnn(-c2ccc(-n3cc(-c4cccc(C(=O)O)c4)nn3)cc2)c1C(F)(F)F |
|
AD22214 | 0.43 | 361.35 | C18H19O7N | CNC(=O)C(OC)C1Cc2cc3cc(O)cc(O)c3c(O)c2C(=O)C1O |
|
AD22215 | 4.04 | 638.67 | C36H34O9N2 | COC(=O)C(Cc1c[nH]c2c(-c3ccccc3)cccc12)NC(=O)C(OC)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O |
|
AD22216 | 3.26 | 468.05 | C15H7O2N3BrI | O=C1Nc2ccc(Br)cc2C1=C1C(=O)Nc2ncc(I)cc21 |
|
AD22217 | 2.72 | 260.27 | C14H13O2N2F | CNc1cc(F)cc(-c2ccc(C(=O)OC)cn2)c1 |
|
AD22218 | 3.26 | 366.83 | C17H15O4N2ClS | COC(=O)c1ccc(SCC(=O)Nc2cc(Cl)ccc2OC)nc1 |
|
AD22219 | 2.29 | 302.3 | C12H8O3N5S | O=[N+]([O-])c1ccc(CSc2nc(O)c3c(n2)[N]C=N3)cc1 |
|
AD22220 | 1.26 | 334.24 | C15H10O9 | COC(=O)c1cc(O)c(O)c2oc(=O)c3cc(O)c(O)c(O)c3c12 |