aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD09301 | 3.16 | 325.78 | C17H14N6Cl | Clc1nc2c(c(NN3CC=C(c4ccccc4)CC3)n1)N=C[N]2 |
|
AD09302 | 0.79 | 185.22 | C9H15O3N | C=CC(=O)NC(CC(C)C)C(=O)O |
|
AD09303 | 2.87 | 270.36 | C15H20N5 | CC1(C)C2CCC(CNc3ncnc4c3N=C[N]4)C1C2 |
|
AD09304 | -1.27 | 310.26 | C14H14O8 | O=C1C=CC(O)C(O)(C(=O)OCc2cc(O)ccc2O)C1O |
|
AD09305 | 0.82 | 335.62 | C9H16O7NP2Cl | COP(=O)(O)CP(=O)(O)OC1CCN(C(=O)CCl)C1 |
|
AD09306 | 1.21 | 349.64 | C10H18O7NP2Cl | COP(=O)(O)CP(=O)(O)OC1CCCN(C(=O)CCl)C1 |
|
AD09307 | 7.17 | 528.77 | C33H52O5 | CC1(C)CCC2(C(=O)OCCC(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD09308 | -0.09 | 114.08 | C4H3ON2F | O=c1ncc(F)c[nH]1 |
|
AD09309 | 5.87 | 506.77 | C30H54O4N2 | CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)NCCCCCc1ccccc1 |
|
AD09310 | 5.82 | 472.76 | C27H56O4N2 | CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)NCCCCCCCC |