aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08781 | 2.03 | 2251.49 | C98H127O31N23S4 | C=C1CC(C2OCCN2C(=O)OCCSSCC(NC(=O)C(CCC(=O)NC)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)NC)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)NC)NC(=O)CCC(NC(=O)c2ccc(NCc3cnc4nc(N)[nH]c(=O)c4n3)cc2)C(=O)O)C(=O)O)N(C(=O)c2cc(OC)c(OCCCCCOc3cc(N)c(C(=O)N4CC(=C)CC4C4OCCN4C(=O)OCCSSc4ccccn4)cc3OC)cc2N)C1 |
|
AD08782 | 1.76 | 195.21 | C11H7N4 | C1=Cc2c(ncnc2-c2cccnc2)[N]1 |
|
AD08783 | 3.0 | 247.25 | C11H6ON3FS | Fc1ccc(-c2noc(-c3cscn3)n2)cc1 |
|
AD08784 | 1.57 | 228.38 | C13H28ON2 | CN1CCN(CCCCCCCCO)CC1 |
|
AD08785 | 8.0 | 583.9 | C37H61O4N | COC(=O)CCCCCNC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2 |
|
AD08786 | 5.37 | 284.83 | C20H21Cl | CCc1ccc(Cc2ccc3c(c2Cl)CCCC3)cc1 |
|
AD08787 | 0.37 | 188.19 | C9H8ON4 | C=NN=c1[nH]c2ccccc2[nH]c1=O |
|
AD08788 | 2.52 | 218.62 | C11H5ON3Cl | ClC1=C[N]c2ncnc(-c3ccco3)c21 |
|
AD08789 | 0.87 | 115.18 | C6H13ON | CCCC(=O)N(C)C |
|
AD08790 | 1.85 | 366.37 | C20H18O5N2 | C=CC1C(O)OC(O)=C2C(=O)N3Cc4c([nH]c5ccccc5c4=O)C3CC21 |