aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03461 | 4.7 | 308.51 | C20H36O2 | C=CC(C)(O)CCC1C(C)(O)CCC2C(C)(C)CCCC21C |
|
AD03462 | 5.06 | 557.77 | C33H51O6N | CCC1CCCC(OC2CCC(N(C)C)C(C)O2)C(C)C(=O)C2=CC3C(C=C(C)C4CC(O)CC43)C2CC(=O)O1 |
|
AD03463 | 0.18 | 150.2 | C5H10O3S | CSC(CCO)C(=O)O |
|
AD03464 | 4.21 | 735.82 | C38H37O7N7S | CCC1(OC(=O)C(NC(=O)C(Cc2c[nH]cn2)N=C(S)Nc2ccc(O)cc2)C(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 |
|
AD03465 | 1.21 | 276.81 | C14H25O2N2Cl | CCC1CCN(CCO)C(C(=O)NCC(C)Cl)C1 |
|
AD03466 | -0.65 | 252.31 | C13H20O3N2 | NC1CC(N)C(O)C(OCc2ccccc2)C1O |
|
AD03467 | -0.75 | 105.09 | C3H7O3N | O=C(O)NCCO |
|
AD03468 | -2.43 | 412.4 | C18H24O9N2 | CC(=O)NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CNC(=O)c1ccccc1 |
|
AD03469 | 2.24 | 300.35 | C18H20O4 | OC1CCOC(COc2ccc(-c3ccccc3)cc2)C1O |
|
AD03470 | -0.99 | 111.12 | CH5O3NS | CNS(=O)(=O)O |