aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD24071 | -0.11 | 93.13 | C2H5O2S | CC[S](=O)=O |
|
AD24072 | 3.78 | 943.9 | C39H55O16N5P2S | COP(=O)(O)OP(=O)(O)OCC1OC2SC(CCCC(=O)O)(NCCCCC(NC(=O)OCc3ccccc3)C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)NC(C)C)OC2C1O |
|
AD24073 | -6.28 | 1059.23 | C42H64O10N19S2 | 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)NCCCCNC(N)=[NH2+])cs2)cs1)C(C)O)C(O)c1c[nH]cn1 |
|
AD24074 | -3.95 | 269.3 | C8H17O6N2S | O=C(NCCS(=O)(=O)O)C1CC(O)C(CO)[NH2+]1 |
|
AD24075 | 1.3 | 340.31 | C12H25O7N2P | COP(=O)(O)OC(=O)C(N)CCCCNC(=O)OC(C)(C)C |
|
AD24076 | -3.07 | 1049.28 | C42H64O10N16S3 | 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)NCCC[SH](C)C)cs2)cs1)C(C)O)C(O)c1c[nH]cn1 |
|
AD24077 | 1.2 | 152.19 | C9H12O2 | OCCOCc1ccccc1 |
|
AD24078 | 1.4 | 265.7 | C13H12O2N3Cl | Cn1c(=NOCc2ccc(Cl)cc2)cc[nH]c1=O |
|
AD24079 | -0.72 | 183.1 | C4H10O5NP | COP(=O)(O)OCC(N)C=O |
|
AD24080 | -0.34 | 197.13 | C5H12O5NP | COP(=O)(O)OC(C)C(N)C=O |