aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04661 | 0.61 | 356.38 | C18H20O4N4 | NCCNc1ccc(NCCN)c2c1C(=O)c1c(O)ccc(O)c1C2=O |
|
AD04662 | 1.41 | 355.38 | C17H13O4N3S | CNS(=O)(=O)c1ccc2c(c1)C(=C1C(=O)Nc3ccccc31)C(=O)N2 |
|
AD04663 | 0.38 | 210.22 | C12H8ON3 | NC(=O)C1=C(C#Cc2ccccc2)[N]C=N1 |
|
AD04664 | 1.07 | 126.11 | C6H6O3 | COC(=O)c1ccco1 |
|
AD04665 | 2.11 | 400.38 | C21H20O8 | COc1cc(C2c3cc4c(cc3C(O)C3COC(=O)C23)OCO4)cc(OC)c1O |
|
AD04666 | 2.14 | 317.35 | C18H15ON5 | C[N+]1=C(C=Cc2ccc3ccccc3c2)[N]c2nc(N)[nH]c(=O)c21 |
|
AD04667 | 5.89 | 438.61 | C25H42O6 | CC=C1C(O)OC=C(C(=O)O)C1CC(=O)OCCCCCCCCCCCCCCC |
|
AD04668 | 3.06 | 358.43 | C18H30O7 | CCCCCCCCCCCC(=O)OCC(O)C1OC(O)=C(O)C1=O |
|
AD04669 | 1.34 | 361.44 | C20H27O5N | C=C1CCC2C(CNCC3CCC(=O)O3)C(=O)OC2C2C(=C)C(O)CC12 |
|
AD04670 | 0.27 | 317.17 | C8H17O8NP2 | COP(=O)(O)OC(C(=O)N1CCCCC1)P(=O)(O)O |