aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08591 | 0.47 | 191.19 | C9H9O2N3 | OCc1cn(-c2cccc(O)c2)nn1 |
|
AD08592 | 0.78 | 611.66 | C29H37O8N7 | CC(O)C(=O)NC(C(=O)NC(CCC(=O)NCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12)C(N)=O)C(C)C |
|
AD08593 | 1.89 | 162.4 | C5H2ONCl3 | N=C(O)C(Cl)(Cl)Cl |
|
AD08594 | 2.47 | 722.66 | C35H34O15N2 | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(C(=O)CO)CC3OC1CC(NC(=O)OCc2ccc(O)c([N+](=O)[O-])c2)C(O)C(C)O1 |
|
AD08595 | 3.64 | 238.33 | C17H18O | CCc1cc(O)ccc1Cc1ccc2c(c1)CC2 |
|
AD08596 | 3.1 | 316.35 | C18H20O5 | COc1ccc(CCc2c(O)ccc(O)c2C(C)=O)cc1OC |
|
AD08597 | 1.94 | 360.37 | C18H20O6N2 | O=C(O)CCOCCNc1ccc2c(c1)c(=O)c(C(=O)O)cn2C1CC1 |
|
AD08598 | 3.15 | 491.97 | C25H30O6N3Cl | O=C(O)CCOCCNc1cc2c(=O)c(C(=O)OCCN3CCCC3)cn(C3CC3)c2cc1Cl |
|
AD08599 | 1.19 | 278.13 | C8H8O3NSBr | Cc1cc(S(=O)(=O)NC=O)ccc1Br |
|
AD08600 | 3.87 | 408.19 | C20H11O6NCl2 | O=C(C=Cc1ccc(O)c(Cl)c1)Nc1c(O)c2ccc(O)c(Cl)c2oc1=O |