aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD23571 | 3.58 | 236.35 | C15H24O2 | C=CC(C)(O)CCC=C(C)CC(=O)C=C(C)C |
|
AD23572 | 1.81 | 1247.09 | C58H57O18N9Cl2S | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NC(CS)C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD23573 | 5.13 | 1322.18 | C68H62O16N10Cl2 | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NN=Cc4ccc(-c5ccccc5)cc4)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD23574 | -0.38 | 275.3 | C12H21O6N | CNC(=O)C(O)C(C)(C)COC(=O)CCC(=O)OC |
|
AD23575 | -0.64 | 502.61 | C22H42O7N6 | CC(C)CC(NC(=O)C(CCCCN)NC(=O)NC(C)C(=O)O)C(=O)NCCCNC(C)C(=O)O |
|
AD23576 | 1.52 | 232.22 | C11H10O3N3 | COC(=O)COc1ccc(C2=C[N]N=N2)cc1 |
|
AD23577 | 0.76 | 239.3 | C10H13O2N3S | COc1cc(CC=NNC(N)=S)ccc1O |
|
AD23578 | 4.24 | 405.94 | C19H28O5NClS | COS(=O)(=O)NC(=O)CCCCCCCCCCOc1ccccc1Cl |
|
AD23579 | 2.77 | 305.44 | C14H27O4NS | CCCCCCCCCC1CC1C(=O)NS(=O)(=O)OC |
|
AD23580 | 3.2 | 379.41 | C22H21O5N | O=C(Nc1ccc(Oc2ccccc2)cc1)C1=COC(O)C2C(CO)=CCC12 |