aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08061 | -0.36 | 233.02 | C6H5O3N2Br | O=C(CBr)c1c[nH]c(=O)[nH]c1=O |
|
AD08062 | 4.52 | 692.92 | C40H58O7N3 | CCC1CCCC(OC2CCC(N(C)CCC[n+]3cccc(C(N)=O)c3)C(C)O2)C(C)C(=O)C2=CC3C(C=CC4CC(O)CC43)C2CC(=O)O1 |
|
AD08063 | 0.08 | 160.12 | C6H8O5 | CC(=O)OCC(O)=CC(=O)O |
|
AD08064 | 10.08 | 976.09 | C57H57O12N3 | O=C(O)Cc1cccc(-c2cc(CCCCOc3nc(OCCCCc4ccc(O)c(-c5cccc(CC(=O)O)c5)c4)nc(OCCCCc4ccc(O)c(-c5cccc(CC(=O)O)c5)c4)n3)ccc2O)c1 |
|
AD08065 | 5.37 | 496.71 | C27H44O6S | CC(C)CC(=O)CC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC12C |
|
AD08066 | 1.86 | 312.17 | C7H6O4NS2Br | O=S(=O)(O)ON=C(S)c1ccc(Br)cc1 |
|
AD08067 | 2.58 | 996.13 | C51H65O12N9 | COc1c(O)cc2cc1Oc1ccc(cc1[N+](=O)[O-])CC(NC(=O)C(N)CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC2C(O)C(=O)NCCCC(=O)NC(C(=O)NCCCN(C)C)c1ccccc1 |
|
AD08068 | 4.14 | 1227.98 | C61H48O18N8Cl2 | CNC(=O)C1NC(=O)C2NC(=O)C(NC(=O)C3NC(=O)C4NC(=O)C(NC(=O)C(N)c5ccc(O)c(c5)Oc5cc(O)cc4c5)C(O)c4ccc(c(Cl)c4)Oc4cc3cc(c4O)Oc3ccc(cc3Cl)C2O)c2ccc(O)c(c2)-c2c(O)cc(O)cc21 |
|
AD08069 | 4.85 | 497.2 | C13H10O2NF15 | O=CNCCCCC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
|
AD08070 | 5.93 | 463.69 | C24H54O3N3P | CCCCCCCCCCCCCCCOP(=O)(CCN(CCCN)CCCN)OC |