aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05311 | 2.48 | 224.22 | C13H8O2N2 | O=C(O)c1cccc2nc3ccccc3nc12 |
|
AD05312 | -5.82 | 934.75 | C36H47O10N12I | CC(c1ccccc1)C1NC(=O)CNC(=O)C(CO)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(C(O)C2CN=C(N)N2)NC(=O)C(Cc2ccc(O)c(I)c2)NC1=O |
|
AD05313 | 1.02 | 205.24 | C10H13ON4 | CCCCn1cnc2c(c1=O)[N]N=C2C |
|
AD05314 | 0.68 | 332.33 | C12H10O3N7S | NS(=O)(=O)c1ccc(NC(=O)Nc2ncnc3c2N=C[N]3)cc1 |
|
AD05315 | 4.0 | 245.5 | C12H3N2Cl3 | N#Cc1c(Cl)[nH]c2cc(Cl)c(Cl)cc12 |
|
AD05316 | -0.96 | 312.27 | C14H16O8 | CC(=O)c1c(O)cc(O)c2c1OC1(C2)OC(CO)C(O)C1O |
|
AD05317 | 0.48 | 272.22 | C11H15O5NP | COC(=O)C(Cc1ccccc1)NP(=O)([O-])OC |
|
AD05318 | 0.83 | 229.66 | C11H12O3NCl | O=C(COc1ccc(Cl)cc1)NCCO |
|
AD05319 | 5.19 | 638.8 | C36H50O8N2 | CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=NOCCCCOc2ccc3ncccc3c2)C=CC(C)=CC1CO |
|
AD05320 | 3.2 | 504.66 | C29H44O7 | CC(=O)OC1CC(O)CC2=CCC3C4CC5OC6(OCC(C)C(O)C6O)C(C)C5C4(C)CCC3C21C |