aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03611 | 3.56 | 325.41 | C23H19ON | C#Cc1ccc2c(c1)C1(CCN(C(C)=O)CC1)c1cc(C#C)ccc1-2 |
|
AD03612 | 3.25 | 199.34 | C12H25ON | CC(C)CCCCCCCCC(N)=O |
|
AD03613 | 5.23 | 1297.13 | C66H59O17N9Cl2 | CNC1C(=O)NC2Cc3ccc(cc3)Oc3cc4cc(c3O)Oc3ccc(cc3Cl)C(O)C3NC(=O)C(NC(=O)C4NC(=O)C(NC2=O)c2cc(cc(O)c2Cl)Oc2cc1ccc2O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(C(=O)NCCCN(C)C)NC3=O |
|
AD03614 | 9.12 | 895.28 | C49H90O10N4 | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C(C)NC(=O)CCC(NC(=O)C(C)NC(=O)CC)C(N)=O)OC(=O)CCCCCCCCCCCCCCC |
|
AD03615 | 4.73 | 311.21 | C18H16O2Cl2 | Clc1ccc(COCCOCc2ccc(Cl)cc2)cc1 |
|
AD03616 | 2.58 | 712.06 | C16H19O4N4I3 | CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)N(C)CC(=O)N(C)C)c1I |
|
AD03617 | 2.62 | 344.36 | C19H20O6 | CC(=O)OC(C)C1c2cc3cccc(O)c3c(O)c2C(=O)CC1(C)O |
|
AD03618 | -0.75 | 705.03 | C14H18O6N3I3 | Nc1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I |
|
AD03619 | 6.2 | 493.39 | C28H22O2N4Cl2 | CCN(CC)CCN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4c(Cl)cccc4c23)C1=O |
|
AD03620 | -0.47 | 518.56 | C26H34O9N2 | COC1(C(=O)O)CC(O)C(NC(=O)CO)C(C(O)C(O)CNCc2ccc(-c3ccc(C)cc3)cc2)O1 |