aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD08311 | 3.3 | 214.35 | C13H26O2 | C=CCCCCCCCCCOCCO |
|
AD08312 | 0.37 | 433.41 | C21H23O9N | COC(=O)C(C)NC(=O)C(OC)C1Cc2cc3cc(O)cc(O)c3c(O)c2C(=O)C1O |
|
AD08313 | 3.39 | 258.3 | C13H10O2N2S | CC(=O)c1c(C)[nH]c(=S)c(C#N)c1-c1ccco1 |
|
AD08314 | -0.48 | 173.56 | C6H4O2N3Cl | NC(=O)c1nc(Cl)c[nH]c1=O |
|
AD08315 | 5.22 | 612.58 | C32H31O3N5Cl2S | CNC(=O)c1ccc(OCc2cc(Cl)c(CN3CSCC3C(=O)N3CCN(C4CC4)c4ccccc43)cc2Cl)cn1 |
|
AD08316 | 6.14 | 614.86 | C37H58O7 | CC=C(C)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2CC1(C)C |
|
AD08317 | 1.86 | 159.25 | C7H13ONS | COC(S)=NC1CCCC1 |
|
AD08318 | 8.51 | 636.96 | C38H68O7 | CCCCCCC(O)CCCC(OC)C1CCC(C2CCC(C(O)CCCCCCCCCCCCC3=CC(C)OC3=O)O2)O1 |
|
AD08319 | -1.13 | 333.39 | C14H27O6N3 | OCCOCCOCCOCCOCCc1cn(CCO)nn1 |
|
AD08320 | -1.3 | 429.18 | C9H13O11N5P2 | [N-]=[N+]=NC1C(O)C(COP(=O)(O)OP(=O)(O)O)OC1n1ccc(=O)[nH]c1=O |