aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD06581 | -3.01 | 624.39 | C20H26O15N4P2 | Cc1cn(C2CC(O)C(COP(=O)([O-])OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)([O-])O)O2)c(=O)[nH]c1=O |
|
AD06582 | 0.3 | 109.13 | C5H7N3 | N=C(N)c1cc[nH]c1 |
|
AD06583 | 6.12 | 470.69 | C30H46O4 | CC1=C2C3=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CCC1C |
|
AD06584 | -1.27 | 348.36 | C16H20O5N4 | O=c1ccn(C2OC(C(O)CNCc3ccncc3)CC2O)c(=O)[nH]1 |
|
AD06585 | 1.98 | 375.43 | C19H25O5N3 | CCn1cc(C(=O)O)c(=O)c2ccc(NCCCCNCCC(=O)O)cc21 |
|
AD06586 | -2.01 | 298.35 | C11H22O2N8 | CN(CCC(N)C(=O)O)Cc1cn(CCNC(=N)N)nn1 |
|
AD06587 | 1.72 | 179.24 | C9H9ONS | O=C1CSCN1c1ccccc1 |
|
AD06588 | 6.78 | 355.63 | C21H41ONS | CCCCCCCCCCCCCCCCCCN1CSCC1=O |
|
AD06589 | 3.78 | 301.73 | C17H12O3NCl | COC(=O)c1ccc2c(ccn2-c2ccc(O)c(Cl)c2)c1 |
|
AD06590 | -1.1 | 1409.14 | C41H57O27N8P5S5 | COP(O)(=S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(O)(=S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(O)(=S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(O)(=S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(O)(O)=S |