aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08661 | 3.16 | 218.3 | C14H18O2 | Cc1c(O)c(O)c2c3c1CCCC3CCC2 |
|
AD08662 | -6.19 | 889.96 | C37H63O16N9 | CC(=O)NC1C(O)OC(CO)C(O)C1CC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(NC(=O)C(C)CO)C(N)=O)C(=O)NC(C)C(=O)NC(C)C(=O)O)C(N)=O |
|
AD08663 | 0.06 | 95.1 | C4H5N3 | Nc1ncccn1 |
|
AD08664 | 3.31 | 223.07 | C10H7OBr | Oc1ccc2cc(Br)ccc2c1 |
|
AD08665 | 1.86 | 310.29 | C15H12O3N5 | O=C(O)CCC(=O)Nc1ccc(-c2ncnc3c2N=C[N]3)cc1 |
|
AD08666 | -0.21 | 173.16 | C8H5ON4 | C#CCn1cnc2c(c1=O)N=C[N]2 |
|
AD08667 | 1.96 | 240.2 | C11H6O2N5 | O=[N+]([O-])c1cccc(-c2ncnc3c2N=C[N]3)c1 |
|
AD08668 | 0.99 | 647.9 | C33H65O9N3 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(NCCCCN)C(C)C(O)C1(C)O |
|
AD08669 | 3.83 | 389.45 | C20H27O5N3 | CCCCCCCCCOC(c1ccc([N+](=O)[O-])cc1)c1c[nH]c(=O)[nH]c1=O |
|
AD08670 | 1.89 | 270.24 | C15H10O5 | Cc1c(O)cc2c(c1O)C(=O)c1ccc(O)cc1C2=O |