aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05231 | 4.77 | 228.38 | C14H28O2 | CCCCCCCCCCCCCC(=O)O |
|
AD05232 | 0.11 | 146.14 | C6H10O4 | COC(=O)CCC(=O)OC |
|
AD05233 | -4.0 | 1073.28 | C44H68O10N18S2 | Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc1nc(-c2nc(C(=O)NCCCNCCCCN)cs2)cs1)C(C)O)C(O)c1c[nH]cn1 |
|
AD05234 | 2.94 | 618.64 | C33H34O10N2 | C=CCOc1ccc2[nH]cc(CC(NC(=O)C(OC)C3Cc4cc5cc(O)c(C)c(O)c5c(O)c4C(=O)C3O)C(=O)OC)c2c1 |
|
AD05235 | 1.9 | 361.35 | C18H19O7N | O=C(O)CCOCCOc1ccc2c(c1)c(=O)c(C(=O)O)cn2C1CC1 |
|
AD05236 | 3.02 | 327.39 | C16H15O2N4S | Cc1ccc(N(CC2=C[N]N=N2)S(=O)(=O)c2ccccc2)cc1 |
|
AD05237 | 0.77 | 754.87 | C38H48O6N11 | Cc1cc(O)cc(C)c1CC(N)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(OCC2=C[N]N=N2)cc1)C(N)=O |
|
AD05238 | 6.89 | 498.75 | C32H50O4 | C=C(C=O)CCCC(C)C1CCC23CC12CCC1C2(C)CCC(OC(C)=O)C(C)(C)C2CC(O)C13C |
|
AD05239 | 2.74 | 333.41 | C17H19O4NS | CC(C)C(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O |
|
AD05240 | -1.0 | 322.13 | C9H10O8NP2 | COP(=O)([O-])OC(C(=O)Nc1ccccc1)P(=O)([O-])[O-] |