aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD12251 | 0.15 | 236.27 | C12H16O3N2 | CC(=O)N(CC(=O)NCCO)c1ccccc1 |
|
AD12252 | 0.55 | 230.25 | C11H12ON5 | CCNc1nc(C#CC(C)O)nc2c1N=C[N]2 |
|
AD12253 | -3.7 | 332.45 | C14H32O3N6 | NCCCCC(N)C(=O)NCCNC1C(O)C(N)CC(N)C1O |
|
AD12254 | -4.57 | 360.46 | C14H32O3N8 | N=C(N)NCCCC(N)C(=O)NCCNC1C(O)C(N)CC(N)C1O |
|
AD12255 | 3.18 | 298.29 | C17H14O5 | COc1ccc(-c2cc(=O)c3c(O)cc(OC)cc3o2)cc1 |
|
AD12256 | 4.28 | 454.63 | C24H38O6S | C=C1CC23CCC4C(C)(C(=O)OCCCCS(=O)(=O)O)CCCC4(C)C2CCC1(O)C3 |
|
AD12257 | 6.25 | 510.59 | C32H30O6 | O=C(O)Cc1cccc(-c2cc(CCCCc3ccc(O)c(-c4cccc(CC(=O)O)c4)c3)ccc2O)c1 |
|
AD12258 | 4.4 | 510.69 | C27H42O7S | CC(C)=CC(=O)CC(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C |
|
AD12259 | -8.25 | 2395.43 | C90H154O39N27P3S2 | COP(=O)(O)OP(=O)(O)OP(=O)(O)OC1CC(=O)N(CCOCCOCCOCCN2C(=O)CC(SC(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)CCCCC3SCC4NC(=O)NC43)C(=O)O)C2=O)C1=O |
|
AD12260 | 2.98 | 528.42 | C20H31O2N7I | O=C(CI)NCCCCCCC(=O)NCCCCCCNc1ncnc2c1N=C[N]2 |