aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04341 | 0.59 | 140.14 | C7H8O3 | OCc1cccc(O)c1O |
|
AD04342 | 0.14 | 87.12 | C4H9ON | CC(C)NC=O |
|
AD04343 | 0.13 | 249.29 | C7H8O2N3FS2 | NC(=S)Nc1ccc(S(N)(=O)=O)cc1F |
|
AD04344 | -2.26 | 2225.79 | C108H130O30N21Cl | CC(C)CC1NC(=O)CNC(=O)C(c2ccc(O)cc2)NC(=O)C(C(C)O)NC(=O)C(c2ccc(O)cc2)NC(=O)C(CCCN)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)O)NC(=O)C(c2ccc(O)cc2)NC(=O)C(c2ccc(O)cc2)NC(=O)C(C(C)C)NC(=O)C(CCCN)NC(=O)C(c2ccc(O)cc2)NC(=O)C(CNC(=O)C(CC(N)=O)NC(=O)c2ccc(O)cc2)C(C(N)=O)OC(=O)C(c2ccc(O)c(Cl)c2)NC(=O)C(C)NC1=O |
|
AD04345 | 11.65 | 666.13 | C42H83O4N | CCCCCCCCCCCCCC=CC(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCC |
|
AD04346 | 2.73 | 336.12 | C11H7N5I | Ic1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD04347 | 1.2 | 66.1 | C5H6 | C#CC=CC |
|
AD04348 | 2.14 | 243.11 | C7H5N3SBr | CSc1ncnc2c1C(Br)=C[N]2 |
|
AD04349 | -0.9 | 113.12 | C4H7ON3 | NC1C=CNC(=O)N1 |
|
AD04350 | 6.81 | 830.91 | C45H36O6N9S | O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3N=C[N]4)cc2)cc1)NCCN=C(S)Nc1ccc2c(c1)C(=O)CC21c2ccc(O)cc2Oc2cc(O)ccc21 |