aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04731 | 6.06 | 550.6 | C31H34O9 | CCCCCCCCCCC1c2c(cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)OOC12C(=O)OC(C)C2=O |
|
AD04732 | 2.29 | 387.44 | C20H25O5N3 | O=C(O)CCNCCCCNc1ccc2c(=O)c(C(=O)O)cn(C3CC3)c2c1 |
|
AD04733 | -0.37 | 118.09 | C4H6O4 | COC(=O)CC(=O)O |
|
AD04734 | -3.32 | 431.49 | C18H33O7N5 | CCNC1CC(N)C(OC2OC(CNC(=O)C(N)CC(=O)O)=CCC2N)C(O)C1O |
|
AD04735 | 2.49 | 480.69 | C28H48O6 | CC(C=CC(C)C1CC(O)C2C1(C)CCC1C3(C)CCC(O)C(O)C3C(O)CC12O)C(C)CO |
|
AD04736 | 4.02 | 996.2 | C54H77O16N | CNc1ccc(C(=O)CC(O)CCC(C)C2OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)CC3(O)CC(O)C(C(=O)OC)C(CC(O)C=CC=CC=CC=CC=CC=CC=CC2C)O3)cc1 |
|
AD04737 | 2.03 | 443.5 | C26H25O4N3 | CNC(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)[O-])c1 |
|
AD04738 | 1.33 | 212.25 | C11H16O4 | COc1cc(CCCO)cc(OC)c1O |
|
AD04739 | 6.06 | 472.71 | C30H48O4 | CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1C |
|
AD04740 | -0.33 | 325.25 | C11H20O8NP | CC(O)C(=O)NC(C)P(=O)(O)CC(CCC(=O)O)C(=O)O |