aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD05991 | 2.47 | 618.76 | C34H50O10 | CCC(C)C1OC2(C=CC1C)CC1CC(CC=C(C)C(O)C(C)C=CC(O)C3(O)COC4C(O)C(C)=CC(C(=O)O1)C43O)O2 |
|
AD05992 | -0.35 | 126.07 | CH3O3PS | COP(=O)([O-])[S-] |
|
AD05993 | 2.01 | 1278.51 | C63H95O17N11 | COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(Cc6cn(CCCCCCOC7C(O)C(N)CC(N)C7OC7OC(CN)C(O)CC7N)nn6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C |
|
AD05994 | 1.31 | 129.2 | C7H15ON | CCCCCCNC=O |
|
AD05995 | -0.72 | 402.4 | C20H22O7N2 | C=CC1C(O)OC=C(C(N)=O)C1C=Cc1ccc[n+](C(CCC(=O)O)C(=O)[O-])c1 |
|
AD05996 | 0.46 | 431.44 | C22H25O8N | C=CC1C(O)OC=C(C(=O)OC)C1C=Cc1cc(C(=O)O)c[n+](C(C(=O)[O-])C(C)C)c1 |
|
AD05997 | 6.46 | 513.68 | C32H39O3N3 | CCN=c1cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)NCCCCCCO)c-2cc1C |
|
AD05998 | 0.26 | 287.04 | CH6O9P3S | COP(=O)(S)OP(=O)([O-])OP(=O)(O)O |
|
AD05999 | -0.15 | 252.27 | C12H16O4N2 | NC(CCc1ccc(O)cc1)C(=O)NCC(=O)O |
|
AD06000 | 2.7 | 218.28 | C11H10ON2S | Cc1csc(NC(=O)c2ccccc2)n1 |