aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD15001 | 2.42 | 308.33 | C16H20O6 | CC1CCCCCC(=O)c2c(cc(O)c(O)c2O)CC(=O)O1 |
|
AD15002 | 4.51 | 273.77 | C15H10N2ClS | Clc1ccc2c(c1)[N]C(SCc1ccccc1)=N2 |
|
AD15003 | 1.65 | 288.34 | C14H24O6 | O=C(O)C(CCCCCOC1CCCCC1O)C(=O)O |
|
AD15004 | 2.11 | 343.34 | C18H17O6N | O=C(O)CCC(NC(=O)c1ccc(-c2ccccc2O)cc1)C(=O)O |
|
AD15005 | 6.85 | 454.7 | C30H46O3 | CC(C)=CC1C=C(C2CCC3(C)C2CCC2C4(C)CCC(O)C(C)(C)C4CCC23C)C(=O)O1 |
|
AD15006 | 7.49 | 604.06 | C37H26O6NCl | CN(Cc1ccc(Cc2ccccc2Cl)cc1)C(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1 |
|
AD15007 | 1.3 | 229.22 | C11H9O2N4 | COc1nc(N)nc2c1C(c1ccco1)=C[N]2 |
|
AD15008 | 1.41 | 210.22 | C12H8ON3 | O=c1[nH]cnc2c1C(c1ccccc1)=C[N]2 |
|
AD15009 | 2.07 | 229.29 | C11H9N4S | Cc1nc(N)c2c(n1)[N]C=C2c1cccs1 |
|
AD15010 | 1.0 | 200.18 | C10H6O2N3 | O=c1[nH]cnc2c1C(c1ccoc1)=C[N]2 |