aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00571 | 3.36 | 268.34 | C15H12ON2S | Cc1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 |
|
AD00572 | 3.21 | 532.59 | C28H36O10 | CC(=O)OC1CC(=O)OC(C)(C)C2CC(=O)C3(C)C(CCC(C)(C(O)c4ccoc4)C34OC4C(=O)O)C12C |
|
AD00573 | 2.33 | 746.94 | C37H66O13N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=O)C(C)C(OC(=O)CCNC(=O)OC(C)(C)C)C1(C)O |
|
AD00574 | 1.03 | 231.28 | C11H15N6 | CC1CCN(C2=Nc3c(N)ncnc3[N]2)CC1 |
|
AD00575 | -0.27 | 246.35 | C12H26O3N2 | CCCCCCOC1C(N)CC(N)C(O)C1O |
|
AD00576 | 2.47 | 574.71 | C32H46O9 | CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(CO)C(=O)CC12C |
|
AD00577 | 0.16 | 277.32 | C14H19O3N3 | NC1CCC(OC(=O)CCc2cccnc2)CNC1=O |
|
AD00578 | 4.87 | 376.44 | C21H16O3N2S | COc1ccc(-c2c(C(C)=O)c(-c3ccccc3)[nH]c(=S)c2C#N)cc1O |
|
AD00579 | 0.63 | 576.77 | C29H56O9N2 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CNC(C)C(O)C1(C)O |
|
AD00580 | 0.39 | 179.18 | C8H9O2N3 | NC(=O)NN=Cc1ccc(O)cc1 |