aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD10911 | 0.95 | 447.44 | C18H20O5N3F3S | O=c1ccn(C2OC(C(O)CNCc3ccc(SC(F)(F)F)cc3)CC2O)c(=O)[nH]1 |
|
AD10912 | 3.41 | 512.67 | C26H40O8S | CC(=O)CC(=O)CC(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C |
|
AD10913 | -0.7 | 176.16 | C7H6ON5 | N=C(N)C1=C[N]c2nc[nH]c(=O)c21 |
|
AD10914 | 2.75 | 383.43 | C19H17O4N3S | Cn1c(COc2ccc(CC3SC(=O)NC3=O)cc2)nc2ccc(O)cc21 |
|
AD10915 | 2.81 | 414.36 | C20H21O2N3Cl2S | CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCN)c2)C1 |
|
AD10916 | 8.6 | 754.13 | C46H77O6N2 | CCCCCCCCCCCC[N+]1(CCCC)CCN(CC(=O)OC2CCCC(CC)OC(=O)CC3C(=CC4C3C=CC3CC(O)CC34)C(=O)C2C)CC1 |
|
AD10917 | 0.18 | 74.08 | C3H6O2 | CCOC=O |
|
AD10918 | -0.89 | 76.05 | C2H4O3 | O=COCO |
|
AD10919 | 3.49 | 298.43 | C20H26O2 | C#CC1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC21C |
|
AD10920 | 6.41 | 470.69 | C30H46O4 | CC(C)=CC(=O)CC(C)C1CCC2(C)C3CCC4C(C)(C(=O)O)C(O)CCC45CC35CCC12C |