aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05561 | 2.55 | 466.57 | C25H38O8 | CCC1OC(=O)CC(OC(C)=O)C(C)C(O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1CO |
|
AD05562 | 3.55 | 439.51 | C23H36O6P | C=C1CC23CCC4C(C)(C(=O)OCCCP(=O)([O-])O)CCCC4(C)C2CCC1(O)C3 |
|
AD05563 | 1.6 | 262.27 | C12H14O3N4 | CC(C)c1nc2cc(C(=O)NNC(=O)O)ccc2[nH]1 |
|
AD05564 | 2.65 | 258.69 | C13H9N5Cl | Clc1ccccc1CNc1ncnc2c1N=C[N]2 |
|
AD05565 | 0.54 | 134.14 | C6H6N4 | Nc1ncnc2cc[nH]c12 |
|
AD05566 | 3.1 | 288.37 | C15H22ON5 | Nc1nc(OCCCCC2CCCCC2)nc2c1N=C[N]2 |
|
AD05567 | -0.64 | 76.09 | C3H8O2 | CC(O)CO |
|
AD05568 | 6.88 | 678.6 | C22H29O2N3F13S2 | [NH]C(CCCCNC(=O)CCCCC1CCSS1)C(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
|
AD05569 | 9.44 | 794.91 | C50H42O6N4 | OCCOc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccc(OCCO)cc4)c4ccc([nH]4)c(-c4ccc(OCCO)cc4)c4nc2C=C4)C=C3)cc1 |
|
AD05570 | 2.94 | 287.31 | C16H17O4N | Cc1c(O)ccc2cc(NC(=O)C3CCCC3)c(=O)oc12 |