aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04451 | 0.9 | 90.15 | C3H6OS | CSC(C)=O |
|
AD04452 | -1.24 | 303.27 | C15H13O6N | COC(=O)NC1=C2C3=CC(C=CC#CC3(O)C(O)C1=O)C2O |
|
AD04453 | 3.33 | 351.45 | C22H25O3N | CC1OC(O)CC(C)(NCc2c3ccccc3cc3ccccc23)C1O |
|
AD04454 | 2.14 | 253.29 | C13H13N6 | CC(Nc1nc(N)nc2c1N=C[N]2)c1ccccc1 |
|
AD04455 | 2.38 | 288.25 | C15H12O6 | COc1c2cc(O)cc(O)c2c(O)c2c(=O)oc(C)cc12 |
|
AD04456 | 2.21 | 238.33 | C13H22O2N2 | CCCCCCCCn1c(=O)[nH]cc(C)c1=O |
|
AD04457 | 0.13 | 151.99 | C3H6ONBr | CNC(=O)CBr |
|
AD04458 | 4.5 | 315.45 | C17H33O4N | CC(C)(C)OC(=O)NCCCCCCCCCCCC(=O)O |
|
AD04459 | 1.77 | 195.17 | C9H9O4N | CCOC(=O)c1ccc([N+](=O)[O-])cc1 |
|
AD04460 | 1.29 | 167.12 | C7H5O4N | O=C(O)c1ccc([N+](=O)[O-])cc1 |