aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD06221 | 4.51 | 432.65 | C27H44O4 | CC(C)CCCC(CO)C1CC(=O)C2C3CC=C4C(O)C(O)CCC4(C)C3CCC12C |
|
AD06222 | 3.68 | 476.65 | C28H44O6 | CC(CC(O)C(C)C1CCC2C3CC=C4CC(O)CC(O)C4(C)C3C(O)CC12C)=C(C)C(=O)O |
|
AD06223 | 3.27 | 509.48 | C27H19O6N5 | O=C1c2c(c3c4ccc(O)cc4n(O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1cccc(CO)n1 |
|
AD06224 | 0.75 | 162.18 | C7H8N5 | CCC1=Nc2c(N)ncnc2[N]1 |
|
AD06225 | 3.59 | 300.35 | C18H14N5 | C1=Nc2c(ncnc2NC(c2ccccc2)c2ccccc2)[N]1 |
|
AD06226 | 3.21 | 787.44 | C40H67O10N4Cl | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)Nc2cccc(Cl)c2)C(C)C(O)C1(C)O |
|
AD06227 | -1.32 | 444.27 | C12H22O10N4P2 | Nc1ccn(C2OC(COP(=O)(O)NCCCOP(=O)(O)O)CC2O)c(=O)n1 |
|
AD06228 | 3.25 | 789.11 | C41H80O10N4 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)NC(C)(C)CC(C)(C)C)C(C)C(O)C1(C)O |
|
AD06229 | 2.37 | 759.04 | C39H74O10N4 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=O)NC2CCCCC2)C(C)C(O)C1(C)O |
|
AD06230 | 2.88 | 318.76 | C17H15O3N2Cl | Cc1cc(Cl)ccc1OCC(=O)NN=Cc1ccc(O)cc1 |