aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00101 | 0.6 | 619.68 | C31H37O7N7 | CC(NC(=O)CO)C(=O)NC(CCC(=O)NCCCCCC(=O)Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2)C(N)=O |
|
AD00102 | 0.91 | 175.14 | C5H3N8 | [N-]=[N+]=Nc1nc(N)nc2c1N=C[N]2 |
|
AD00103 | 1.74 | 422.52 | C23H34O7 | CCC1OC(=O)CC(=O)C(C)C(O)C2CC(O)C(C)(C2)C(=O)C=CC(C)=CC1CO |
|
AD00104 | -0.2 | 244.24 | C11H16O6 | COc1cc(C(O)C(O)CO)cc(OC)c1O |
|
AD00105 | 3.16 | 336.43 | C18H28O4N2 | CCCCCCCCc1ccc(NC(=O)NC(CO)C(=O)O)cc1 |
|
AD00106 | -0.94 | 112.09 | C4H4O2N2 | O=c1cc[nH]c(=O)[nH]1 |
|
AD00107 | 6.15 | 486.69 | C30H46O5 | CC1CCC2(C(=O)O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1C |
|
AD00108 | 5.35 | 504.71 | C30H48O6 | CC(C)C1(O)CCC2(C(=O)O)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C21 |
|
AD00109 | 8.98 | 605.81 | C32H62O8P | CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OP(=O)([O-])OC |
|
AD00110 | 2.92 | 334.37 | C18H22O6 | COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)c(O)c1O |