aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20521 | 4.01 | 540.51 | C23H26O8N2FPS | CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCOP(=O)(O)OC)S(C)(=O)=O)c(C3CC3)cc12 |
|
AD20522 | 3.56 | 282.81 | C16H23ON2Cl | CCCCCCc1ccnc(C(=O)NCC(C)Cl)c1 |
|
AD20523 | 2.71 | 464.64 | C27H44O6 | CC1C2C(CC3C4CC(O)C5CC(O)C(O)CC5(C)C4CCC32C)OC12CCC(CO)CO2 |
|
AD20524 | 1.24 | 365.47 | C19H25N8 | Nc1nc(NCCN2CCN(CCc3ccccc3)CC2)nc2c1N=C[N]2 |
|
AD20525 | 0.97 | 98.1 | C5H6O2 | OC1=CC=CCO1 |
|
AD20526 | 4.04 | 276.75 | C14H9ON2ClS | Clc1ccccc1Cc1nnc(-c2ccco2)s1 |
|
AD20527 | 4.45 | 350.82 | C20H20O3FCl | CCOc1ccc(Cc2ccc(OCC3(F)COC3)cc2Cl)cc1 |
|
AD20528 | 3.9 | 356.84 | C19H19ON5Cl | Cc1cccc(COC2CCCC2Nc2nc(Cl)nc3c2N=C[N]3)c1 |
|
AD20529 | 5.83 | 752.68 | C40H32O15 | CC(=O)Oc1ccc(C2CC(=O)c3c(OC(C)=O)cc(O)c(C4C(=O)c5c(OC(C)=O)cc(OC(C)=O)cc5OC4c4ccc(OC(C)=O)cc4)c3O2)cc1 |
|
AD20530 | 3.92 | 629.79 | C35H51O9N | CCC1OC(=O)CC(O)C(C)C(O)C(CC(OC(=O)c2ccccc2)C(=O)NC(C)(C)C)CC(C)C(=O)C=CC(C)=CC1CO |