aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD19961 | 3.37 | 384.47 | C17H14O2N5S2 | CSC1=Nc2c(nc(N)nc2SCc2cc3cc(C)ccc3oc2=O)[N]1 |
|
AD19962 | -0.26 | 395.84 | C16H26O7N3Cl | COCC1C(CO)OC(N(CC2CC2)C(=O)N(CCCl)N=O)C(O)C1O |
|
AD19963 | 2.68 | 1706.62 | C84H90O21N16Cl2 | 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(=O)C(Cc4c[nH]cn4)NC(=O)C4CCCN4C(=O)C(N)Cc4c[nH]c5ccccc45)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
|
AD19964 | 0.93 | 265.31 | C14H19O4N | COC1CC(O)OC(C)C1NC(=O)c1ccccc1 |
|
AD19965 | -0.26 | 86.09 | C3H6ON2 | C=NNC(C)=O |
|
AD19966 | 2.84 | 334.41 | C19H26O5 | C=C1CCC2C(O)(C(=O)O)CCCC2(C)C1CCC1=CCOC1=O |
|
AD19967 | 2.43 | 300.27 | C16H12O6 | COc1c(O)ccc2c1OC(=Cc1ccc(O)c(O)c1)C2=O |
|
AD19968 | 7.14 | 617.87 | C39H55O5N | CC1(C(=O)NC(Cc2ccccc2)C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1 |
|
AD19969 | 0.43 | 193.2 | C10H11O3N | O=CNC(Cc1ccccc1)C(=O)O |
|
AD19970 | 2.35 | 243.68 | C13H8N4Cl | Nc1ncnc2c1C(c1cccc(Cl)c1)=C[N]2 |