aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD23461 | 2.99 | 274.3 | C14H16O3N3 | O=C(O)CCCCCOc1cccc(C2=C[N]N=N2)c1 |
|
AD23462 | 1.07 | 180.16 | C9H8O4 | O=C(O)CC(=O)Oc1ccccc1 |
|
AD23463 | 0.97 | 274.32 | C15H18O3N2 | CC(C#Cc1ccc(C(N)=O)cc1)CCC(N)C(=O)O |
|
AD23464 | -1.08 | 262.31 | C11H22O5N2 | CNC(=O)COCCOCCOCCNC(C)=O |
|
AD23465 | 0.62 | 417.42 | C20H23O7N3 | O=C(NC(C(=O)O)C(O)C1CCC(n2ccc(=O)[nH]c2=O)C1)OCc1ccccc1 |
|
AD23466 | 2.69 | 272.72 | C14H11N5Cl | Clc1nc2c(c(NCCc3ccccc3)n1)N=C[N]2 |
|
AD23467 | 5.88 | 2363.01 | C115H109O32N19Cl4 | CNC(CC(C)C)C(=O)NC1Cc2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2Cl)C(O)C2NC(=O)C(NC(=O)C3NC(=O)C(CC(=O)O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)NCCn1cc(CNC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C5NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(CC(C)C)NC)Cc6ccc(c(Cl)c6)Oc6cc5cc(c6O)Oc5ccc(cc5Cl)C4O)c4ccc(O)c(c4)-c4c(O)cc(O)cc43)nn1)NC2=O |
|
AD23468 | 6.36 | 2523.22 | C123H125O35N19Cl4 | CNC(CC(C)C)C(=O)NC1Cc2ccc(c(Cl)c2)Oc2cc3cc(c2O)Oc2ccc(cc2Cl)C(O)C2NC(=O)C(NC(=O)C3NC(=O)C(CC(=O)O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)NCCCc1cn(CCOCCOCCOCCNC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C5NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(CC(C)C)NC)Cc6ccc(c(Cl)c6)Oc6cc5cc(c6O)Oc5ccc(cc5Cl)C4O)c4ccc(O)c(c4)-c4c(O)cc(O)cc43)nn1)NC2=O |
|
AD23469 | 5.29 | 373.85 | C19H23N3F3Cl | CC(C)N(C)C1CC(CCc2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)C1 |
|
AD23470 | 2.67 | 272.26 | C15H12O5 | OC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2C1 |