aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22601 | 1.52 | 238.25 | C13H10ON4 | NC(=O)c1cn(-c2ccc3ccccc3c2)nn1 |
|
AD22602 | 5.78 | 328.54 | C20H40O3 | CCCCCCCCCCCCCCCCCC(=O)OCCO |
|
AD22603 | -1.76 | 840.03 | C39H69O11N9 | CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C)NC(=O)C(C)NC(=O)C1CCCCN1C(=O)C(NC(=O)C(N)C(C)O)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)O |
|
AD22604 | 1.44 | 222.27 | C9H10ON4S | Cc1cc(NC(=O)c2cscn2)n(C)n1 |
|
AD22605 | -7.32 | 768.7 | C28H40O14N12 | OCc1cn(C2C(CO)OC(c3cn(C4OC(CO)C(n5cc(C6OC(CO)C(n7cc(CO)nn7)C(O)C6O)nn5)C(O)C4O)nn3)C(O)C2O)nn1 |
|
AD22606 | 1.99 | 239.23 | C13H9O2N3 | NC(=O)c1noc(-c2cccc3ccccc23)n1 |
|
AD22607 | -5.6 | 892.97 | C37H60O12N14 | CC(=O)NC(CCC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(C(=O)NC(C(N)=O)C(C)C)C(C)O |
|
AD22608 | -0.43 | 256.25 | C12H16O6 | COC(=O)C1=COC(O)C2C(CO)=CC(OC)C12 |
|
AD22609 | 3.62 | 873.15 | C46H76O10N6 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCCc2cn(CCn3ccc4cc(OC)ccc43)nn2)C(C)C(O)C1(C)O |
|
AD22610 | 3.11 | 269.35 | C14H13N4S | C1=Nc2c(ncnc2SCCCc2ccccc2)[N]1 |