aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD16541 | 0.17 | 228.24 | C11H16O5 | CC(=O)OC1(C)CC(O)C2C=COC(O)C21 |
|
AD16542 | 2.24 | 216.28 | C13H16ON2 | CNC(=O)CCCc1c[nH]c2ccccc12 |
|
AD16543 | 1.85 | 416.38 | C21H20O9 | CC1OC(c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)CC(O)C1O |
|
AD16544 | 2.78 | 671.49 | C29H27O12N3P2 | COP(=O)(O)OC1C2C(n3cc(C)c(=O)[nH]c3=O)OC1(COP(=O)(O)O)CN2C(=O)c1ccc2ccc3cccc4ccc1c2c34 |
|
AD16545 | 2.07 | 1279.88 | C49H53O26N7P4 | COP(=O)(O)OC1C2C(n3cc(C)c(=O)[nH]c3=O)OC1(COP(=O)(O)OC1CC(n3cc(C)c(=O)[nH]c3=O)OC1COP(=O)(O)OC1CC(n3cc(C)c(=O)[nH]c3=O)OC1COP(=O)(O)O)CN2C(=O)c1ccc2ccc3cccc4ccc1c2c34 |
|
AD16546 | 5.7 | 1837.39 | C77H77O32N12P5 | COP(=O)(O)OC1C2C(n3cc(C)c(N)nc3=O)OC1(COP(=O)(O)OC1CC(n3cc(C)c(=O)[nH]c3=O)OC1COP(=O)(O)OC1C3C(n4cc(C)c(N)nc4=O)OC1(COP(=O)(O)OC1CC(n4cc(C)c(=O)[nH]c4=O)OC1COP(=O)(O)O)CN3C(=O)c1ccc3ccc4cccc5ccc1c3c45)CN2C(=O)c1ccc2ccc3cccc4ccc1c2c34 |
|
AD16547 | -2.63 | 880.05 | C41H69O12N9 | NC(Cc1ccc(O)cc1)C(=O)NC(CC(=O)NCC(=O)NCCCCCCO)C(=O)NC(CC(=O)NCC(=O)NCCCCCCO)C(=O)NCC(=O)NCCCCCCO |
|
AD16548 | 1.82 | 201.23 | C9H5N4S | C1=Cc2c(ncnc2-c2nccs2)[N]1 |
|
AD16549 | 4.98 | 522.6 | C29H34O7N2 | CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)cc(CN(C)C(=O)C(C)(C)C)c1O |
|
AD16550 | 0.72 | 258.29 | C11H8ON5S | NC(=O)C1=C(c2cccs2)[N]c2ncnc(N)c21 |