aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05531 | 4.7 | 602.6 | C35H26O8N2 | Cc1cc(O)c2c(c1)C1OC(=O)C(Cc3ccc(NC(=O)COc4ccccc4)cc3)N1C1=C2C(=O)c2cccc(O)c2C1=O |
|
AD05532 | -0.88 | 439.48 | C19H25O2N11 | Cn1cc(-c2cc(C(=O)NC(CCCNC(=N)N)C(N)=O)cc(-c3cn(C)nn3)c2)nn1 |
|
AD05533 | -2.25 | 2243.85 | C109H136O30N21Cl | CC(C)CCC=CC=CC(=O)NC(CC(N)=O)C(=O)NC1C(=O)NC(c2ccc(O)cc2)C(=O)NC(CCCN)C(=O)NC(C(C)O)C(=O)NC(c2ccc(O)cc2)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(Cc2ccccc2)C(=O)NC(CCCN)C(=O)NC(c2ccc(O)cc2)C(=O)NC(C(C)O)C(=O)NC(c2ccc(O)cc2)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(c2ccc(O)c(Cl)c2)C(=O)OC1C(N)=O |
|
AD05534 | 2.84 | 265.27 | C15H11O2N3 | O=C(O)c1ccc(-c2ccc(-c3nc[nH]n3)cc2)cc1 |
|
AD05535 | 2.18 | 179.61 | C10H6ONCl | O=c1[nH]ccc2ccc(Cl)cc12 |
|
AD05536 | 1.69 | 134.18 | C9H10O | OCC=Cc1ccccc1 |
|
AD05537 | 3.1 | 310.31 | C18H14O5 | Cc1c(O)cc(Cc2ccccc2)c2cc(C(=O)O)c(=O)oc12 |
|
AD05538 | 0.49 | 103.12 | C4H9O2N | CCCOC(N)=O |
|
AD05539 | 4.3 | 486.65 | C29H42O6 | Cc1c(O)c(O)cc2c1CCC1C2(C)C(=O)CC2(C)C(C(C)(O)C3CCC(C)(C)O3)C(O)CC12C |
|
AD05540 | 0.04 | 181.15 | C8H7O4N | O=C1Nc2ccc(O)cc2OC1O |