aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD01081 | -0.62 | 103.12 | C4H9O2N | COCCNC=O |
|
AD01082 | 4.7 | 401.88 | C23H18N6Cl | Clc1ccc(Cn2cc(CCNc3ncnc4c3N=C[N]4)c3ccccc32)cc1 |
|
AD01083 | 4.05 | 397.46 | C23H21ON6 | COc1ccccc1Cn1cc(CCNc2ncnc3c2N=C[N]3)c2ccccc21 |
|
AD01084 | -0.63 | 379.41 | C18H25O6N3 | CC(O)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)OCc1ccccc1 |
|
AD01085 | 3.27 | 325.32 | C17H15O4N3 | COC(=O)CCNc1c2ccccc2nc2cccc([N+](=O)[O-])c12 |
|
AD01086 | 4.41 | 241.72 | C16H12NCl | Clc1ccc2c(Cc3ccccc3)c[nH]c2c1 |
|
AD01087 | -0.28 | 175.23 | C8H17O3N | CCNC1COC(O)CC1OC |
|
AD01088 | 1.82 | 423.54 | C18H17O5NS3 | COC(=O)NC1=C2C(=CCSSSC)C(O)(C#CC=CC#CC2O)CC1=O |
|
AD01089 | 1.95 | 499.32 | C16H22O7NSI | COc1c(O)c(I)c(C)c(C(=O)SC2C(O)CC(ON)OC2C)c1OC |
|
AD01090 | 2.12 | 780.95 | C41H64O14 | CC1C=CC=CCCC=CC=CC=CC=CC(O)CC2OC(O)(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O |