aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04001 | 1.21 | 160.98 | C3H3N3Br | BrCC1=CN=N[N]1 |
|
AD04002 | 5.11 | 630.86 | C37H58O8 | CC=C(C)C(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C21COC(C)=O |
|
AD04003 | 6.66 | 458.73 | C30H50O3 | CC(C)(O)CCCC(CO)C1CCC2(C)C1CCC1C3=C(CCC12C)C(C)(C)C1CCC3O1 |
|
AD04004 | 2.31 | 189.26 | C12H15ON | CC(C)c1ccc(C=CC(N)=O)cc1 |
|
AD04005 | 1.48 | 297.3 | C12H20O2N5P | CC1(C)CN1P(=O)(Nc1cc[nH]c(=O)n1)N1CC1(C)C |
|
AD04006 | 7.24 | 442.73 | C30H50O2 | CC1(C)CCC23CCC4(C)C(CCC5C6(C)CCC(O)C(C)(C)C6CCC54C)C2C1OC3 |
|
AD04007 | 2.8 | 764.95 | C41H64O13 | CC1C=CC=CCCC=CC=CC=CC=CC(O)CC2OC(CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O)CC(O)C2C(=O)O |
|
AD04008 | 1.28 | 178.28 | C5H10ON2S2 | CCOC1NN=C(SC)S1 |
|
AD04009 | -0.29 | 272.02 | C2H11O9P3 | CCP(=O)(O)OP(=O)(O)O[PH](O)(O)O |
|
AD04010 | 2.57 | 486.39 | C23H18O12 | CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(O)c(-c3cc(OC(C)=O)c(O)cc3OC(C)=O)oc2c1 |