aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05081 | 0.77 | 434.42 | C20H23O6N4F | O=C(O)CNC(=O)CCNCCNc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 |
|
AD05082 | -1.57 | 2253.84 | C110H134O30N21Cl | CCOc1ccc(C(=O)NC(CC(N)=O)C(=O)NCC2C(=O)NC(c3ccc(O)cc3)C(=O)NC(CCCN)C(=O)NC(C(C)C)C(=O)NC(c3ccc(O)cc3)C(=O)NC(c3ccc(O)cc3)C(=O)NC(C(C)O)C(=O)NC(Cc3ccccc3)C(=O)NC(CCCN)C(=O)NC(c3ccc(O)cc3)C(=O)NC(C(C)O)C(=O)NC(c3ccc(O)cc3)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(c3ccc(O)c(Cl)c3)C(=O)OC2C(N)=O)cc1 |
|
AD05083 | 3.0 | 265.31 | C17H15O2N | Cc1cc(-c2ccc3cc[nH]c(=O)c3c2)ccc1CO |
|
AD05084 | 2.73 | 241.29 | C15H15O2N | CNC(=O)c1cccc(-c2ccc(O)c(C)c2)c1 |
|
AD05085 | 0.24 | 202.19 | C6H6O4N2S | NS(=O)(=O)c1cccc([N+](=O)[O-])c1 |
|
AD05086 | 3.2 | 172.68 | C9H9ClS | CSCc1ccc(Cl)cc1 |
|
AD05087 | 6.25 | 371.62 | C18H33ON3S2 | CCCCCCCCCCCCCCCC(=O)Nc1nnc(S)s1 |
|
AD05088 | -0.07 | 319.31 | C16H17O6N | O=C1CC(O)C(O)C(=O)N2CCC1c1cc3c(cc1C2)OCO3 |
|
AD05089 | 0.88 | 168.15 | C8H8O4 | COC(=O)c1cc(O)ccc1O |
|
AD05090 | -1.17 | 140.14 | C6H8O2N2 | C#CNC(=O)CC(=O)NC |