aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22131 | 2.86 | 429.54 | C22H27O4N3S | CNC(=S)NC1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(NC)c(=O)cc21 |
|
AD22132 | 1.71 | 170.25 | C10H18O2 | CC1(C)OC2(C)CCC1CC2O |
|
AD22133 | 4.62 | 390.66 | C19H13O2NClBr | CC(=O)C=C1C(=O)N(Cc2ccc(Br)cc2)c2ccc(Cl)cc21 |
|
AD22134 | 2.2 | 506.64 | C28H42O8 | CC(=O)C1(O)CCC2(O)C3(O)CC4OC45CC(O)CCC5(C)C3CC(OC(=O)C=C(C)C(C)C)C12C |
|
AD22135 | 3.14 | 327.32 | C15H22O5NP | COP(=O)(NC(C)C(=O)OCC1CCC1)Oc1ccccc1 |
|
AD22136 | 3.08 | 308.29 | C18H12O5 | O=C1OC(O)c2cc(O)c(O)c3c(-c4ccccc4)ccc1c23 |
|
AD22137 | 1.17 | 264.32 | C14H20O3N2 | COC(=O)c1cccc(CN(C)CCCC(N)=O)c1 |
|
AD22138 | 2.62 | 237.24 | C13H9ON4 | Cn1ccc2c1[N]c1ncnc(-c3ccco3)c1-2 |
|
AD22139 | 2.3 | 760.86 | C38H48O14S | CSC1=CC2=C(C(=O)c3ccc(C4CC(O)C(OC5CCC(O)C(C)O5)C(C)O4)c(O)c3C2=O)C2(OC3CCC(O)C(C)O3)C(=O)CC(C)(O)CC12O |
|
AD22140 | 6.91 | 1624.47 | C80H80O23N12Cl2 | CCCCCCOCc1cn(CCOCCOCCOCCOCc2cn(C3C(=O)NC4Cc5ccc(c(Cl)c5)Oc5cc6cc(c5O)Oc5ccc(cc5Cl)C(O)C5NC(=O)C(NC(O)C6NC(=O)C(NC4=O)c4cc(O)cc(c4)Oc4cc3ccc4O)c3ccc(O)c(c3)-c3c(O)cc(O)cc3C(C(=O)O)NC5=O)nn2)nn1 |