aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD11511 | 1.37 | 281.27 | C12H15O5N3 | O=C(O)NCCCCNC(=O)c1ccc([N+](=O)[O-])cc1 |
|
AD11512 | 4.8 | 342.4 | C21H18ON4 | O=C(Nc1cccc(Cc2ccccc2)c1)Nc1cccc2[nH]cnc12 |
|
AD11513 | 2.87 | 400.47 | C22H22ON7 | Nc1nc(N2CCN(c3ccc(OCc4ccccc4)cc3)CC2)nc2c1N=C[N]2 |
|
AD11514 | 2.16 | 428.06 | C7H12O13P4 | COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)Oc1ccccc1 |
|
AD11515 | 1.24 | 396.43 | C19H22O3N7 | CCOC(=O)COc1ccc(N2CCN(c3nc(N)c4c(n3)[N]C=N4)CC2)cc1 |
|
AD11516 | 2.95 | 708.58 | C25H37O12N2F3P2S | COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C1(CCCc2cccc(C(F)(F)F)c2)CO1 |
|
AD11517 | -1.95 | 402.19 | C10H16O11N2P2 | O=c1ccn(C2CC(COP(=O)(O)OP(=O)(O)O)C(O)C2O)c(=O)[nH]1 |
|
AD11518 | 3.79 | 234.34 | C15H22O2 | CC(=CO)C1CC2(C)C(=CC1=O)CCCC2C |
|
AD11519 | 2.25 | 375.42 | C20H25O6N | CC1(C)OCc2cc(CCCOCCCO)cc3c(=O)c(C(=O)O)cn1c23 |
|
AD11520 | -0.77 | 375.38 | C18H21O6N3 | CNC(=O)CN1C(=O)C2NC(c3ccccc3OC)C(C(=O)OC)C2C1=O |