aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13291 | 2.85 | 190.16 | C9H9OF3 | COCc1ccc(C(F)(F)F)cc1 |
|
AD13292 | 1.95 | 231.25 | C13H13O3N | C=CC=CC=C(C)C(=O)c1c(O)cc[nH]c1=O |
|
AD13293 | -0.63 | 201.27 | C9H19O2N3 | NCCNC(=O)CCCCCNC=O |
|
AD13294 | 2.25 | 263.71 | C12H6ON3ClS | N#Cc1c(-c2ccc(Cl)cc2)nc(S)[nH]c1=O |
|
AD13295 | 3.57 | 890.69 | C44H37O13N5Cl2 | NC(CO)Cc1ccc(Oc2cc3cc(c2O)Oc2ccc(cc2Cl)C(O)C2NC(=O)C(NC(=O)C3N)c3ccc(O)c(c3)-c3c(O)cc(O)cc3C(C(=O)O)NC2=O)c(Cl)c1 |
|
AD13296 | -1.03 | 151.11 | C5H3O2N4 | O=c1[nH][nH]c(=O)c2c1[N]C=N2 |
|
AD13297 | 5.15 | 420.54 | C21H12O2N2S3 | O=C1C(=Cc2cc3c(=O)c4ccccc4sc3s2)N=C(S)N1c1ccccc1 |
|
AD13298 | 4.34 | 339.37 | C17H26O4NP | COP(=O)(NC(C)C(=O)CC1CCCCC1)Oc1ccccc1 |
|
AD13299 | -1.61 | 179.16 | C6H7ON6 | Cn1c(=O)[nH]c2c(c1=N)N=C(N)[N]2 |
|
AD13300 | 3.95 | 562.74 | C32H50O8 | COC(=O)C1(C)CCC2(C(=O)O)CCC3(C)C(=CC(OC)C4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1 |