aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12651 | 1.6 | 338.34 | C13H27O6N2P | COP(=O)(NC(C)C(=O)OC(C)C)NC(C)C(=O)OC(C)C |
|
AD12652 | 4.81 | 288.35 | C20H16O2 | COC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1 |
|
AD12653 | -1.67 | 188.19 | C5H6O3N3S | CS(=O)(=O)C1=C(C(N)=O)N=C[N]1 |
|
AD12654 | 5.2 | 326.81 | C18H11ON2ClS | Clc1ccccc1Cc1nnc(-c2cc3ccccc3o2)s1 |
|
AD12655 | -0.41 | 653.79 | C25H52O7N9PS | COP(O)(=S)OCCCC(=O)NC(CCCCNC(=N)N)C(=O)NC(CCCCNC(=N)N)C(=O)NCCCCCCO |
|
AD12656 | 3.0 | 235.7 | C12H12N4Cl | Clc1cc(NC2CCCC2)c2c(n1)[N]C=N2 |
|
AD12657 | -0.8 | 198.23 | C8H14O2N4 | COC1=NC(N)=C(NC(C)=O)CN1C |
|
AD12658 | 1.48 | 373.39 | C17H19N8F2 | Nc1nc(NCCN2CCN(c3cccc(F)c3F)CC2)nc2c1N=C[N]2 |
|
AD12659 | 4.15 | 953.99 | C51H55O17N | CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(C)=O)C2C(OC(=O)c2ccccc2)C2(O)CC(OC(=O)C(OC(=O)CCC(=O)O)C(NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C |
|
AD12660 | 5.03 | 488.71 | C30H48O5 | C=C(CO)C1CCC2(C(=O)O)CCC3(C)C(CC(O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C12 |