aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD23041 | 5.09 | 471.68 | C29H45O4N | CC(=O)OC1CC2C(CC=C3CC(O)CCC32C)C2CCC(C(C)(O)C3=NCC(C)CC3)C12C |
|
AD23042 | 1.38 | 248.24 | C11H12O3N4 | COCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 |
|
AD23043 | 0.73 | 234.22 | C10H10O3N4 | O=[N+]([O-])c1ccc(Cn2cc(CO)nn2)cc1 |
|
AD23044 | 0.01 | 178.17 | C7H8ON5 | CCOC1=N[N]c2ncnc(N)c21 |
|
AD23045 | 3.19 | 306.32 | C19H14O4 | Cc1cc(O)c2c3c(ccc2c1)C(=O)c1c(O)cccc1C3O |
|
AD23046 | 2.75 | 436.45 | C22H22O5N5 | CCOC(=O)C1=C(C)Oc2nc(C)n(CC3=C[N]N=N3)c(=O)c2C1c1ccc(OC)cc1 |
|
AD23047 | 0.45 | 186.25 | C10H18O3 | CC1=C(CO)C(C)(C)CC(O)C1O |
|
AD23048 | 2.8 | 246.31 | C14H18O2N2 | Cc1[nH]nc(O)c1Cc1ccc(OC(C)C)cc1 |
|
AD23049 | 1.17 | 299.24 | C11H10O5NPS | CNC(=O)OC(c1csc2ccccc12)P(=O)([O-])[O-] |
|
AD23050 | 3.1 | 308.79 | C16H13O3ClS | O=S1(=O)CCOc2ccc(Cc3ccccc3Cl)cc21 |