aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05031 | 0.28 | 85.11 | C4H7ON | CC(C)(O)C#N |
|
AD05032 | 1.91 | 214.25 | C11H12N5 | C1=CCC(Nc2ncnc3c2N=C[N]3)CC1 |
|
AD05033 | 3.21 | 251.28 | C16H13O2N | Cc1cc(-c2ccc3cc[nH]c(=O)c3c2)ccc1O |
|
AD05034 | 0.94 | 548.6 | C28H32O6N6 | CC(O)C(=O)NC(C(=O)NC(CCC(=O)Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2)C(N)=O)C(C)C |
|
AD05035 | 7.75 | 636.93 | C37H65O5N2F | CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)CCCCCCCCCCCNC(=O)c1ccc(F)cc1 |
|
AD05036 | 0.64 | 191.23 | C10H13ON3 | OCCNCc1nc2ccccc2[nH]1 |
|
AD05037 | 2.86 | 286.36 | C15H20ON5 | Oc1nc2c(c(NC3CCC4CCCCC4C3)n1)N=C[N]2 |
|
AD05038 | -0.08 | 85.11 | C4H7ON | C=CCNC=O |
|
AD05039 | 4.55 | 570.46 | C30H18O12 | O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)c(-c3c(O)cc(O)c4c(=O)c(O)c(-c5ccc(O)cc5)oc34)c(O)c12 |
|
AD05040 | 0.97 | 133.15 | C7H7N3 | Cn1nnc2ccccc21 |