aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD03771 | 1.6 | 130.19 | C7H14O2 | CCOC(=O)C(C)CC |
|
AD03772 | -1.81 | 185.13 | C7H7O5N | NC1=C(C(=O)O)C(=O)C(O)CC1=O |
|
AD03773 | 2.65 | 258.35 | C14H14ON2S | C=CCN1C(=O)C(=Cc2ccc(C)cc2)N=C1S |
|
AD03774 | 0.5 | 298.21 | C10H10O7N4 | O=C(O)NCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 |
|
AD03775 | -0.45 | 284.01 | C2H9O9NP3 | COP(=O)([O-])NP(=O)(O)OP(=O)(O)OC |
|
AD03776 | 4.98 | 703.91 | C39H61O10N | CCC(=O)OC1CC(=O)OC(C)CC(O)C(N(C)CCCCCCCc2ccccc2)C=CC(OC(C)=O)C(C)CC(CC=O)C(O)C1OC |
|
AD03777 | 0.27 | 220.21 | C9H10O2N5 | CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N=C[N]2 |
|
AD03778 | -0.6 | 188.23 | C8H16O3N2 | COC(=O)C(CCCCN)NC=O |
|
AD03779 | 1.9 | 240.29 | C13H14N5 | Nc1nc(C#CCC2CCCC2)nc2c1N=C[N]2 |
|
AD03780 | 4.36 | 664.83 | C36H56O11 | COC1CC2(OCOC3CC(OC(C)C4(O)CCC5C6CC=C7CC(OC=O)CCC7(C)C6CCC54C)OC(C)C3O2)OC(C)C1O |