aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD21951 | 2.95 | 307.12 | C14H6ON5Cl2 | O=C(Nc1ncnc2c1N=C[N]2)c1ccc(Cl)cc1Cl |
|
AD21952 | 1.77 | 260.2 | C13H8O6 | O=c1c2cc(O)ccc2oc2c(O)c(O)cc(O)c12 |
|
AD21953 | -2.36 | 164.2 | C6H16O3N2 | NCC(O)COC(CN)CO |
|
AD21954 | 2.41 | 302.28 | C16H14O6 | COc1ccc(C=CC(=O)c2ccc(O)c(O)c2O)cc1O |
|
AD21955 | 4.51 | 286.8 | C19H19OCl | Clc1ccccc1Cc1ccc(CCC2COC2)cc1 |
|
AD21956 | 3.06 | 994.29 | C53H88O13N3F | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)C2(O)C(C)CC3C4CC(F)C5=CC(=O)C=CC5(C)C4C(O)CC32C)C(C)C(O)C1(C)O |
|
AD21957 | 4.89 | 464.45 | C23H29O8P | CCOC(=O)CCc1ccccc1OP(=O)(OC)Oc1ccccc1CCC(=O)OCC |
|
AD21958 | 6.84 | 453.71 | C30H47O2N | CC1(C)CCC2(C(N)=O)CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC43C)C2C1 |
|
AD21959 | 2.69 | 246.31 | C14H18O2N2 | O=C(NN=CC1CCCCC1)c1ccc(O)cc1 |
|
AD21960 | -0.38 | 272.25 | C12H16O7 | CC(=O)OC1(C)CC(O)C2C(C(=O)O)=COC(O)C21 |