aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00001 | 0.67 | 166.18 | C9H10O3 | O=C(O)C(O)Cc1ccccc1 |
|
AD00002 | 1.38 | 122.12 | C7H6O2 | O=C(O)c1ccccc1 |
|
AD00003 | 4.73 | 526.74 | C28H46O7S | CC(C)C(C)C(=O)CC(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C |
|
AD00004 | -1.0 | 130.15 | C5H10O2N2 | CC(=O)NC(C)C(N)=O |
|
AD00005 | 5.71 | 414.63 | C27H42O3 | CC1CCC2(OC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C |
|
AD00006 | 4.63 | 404.59 | C25H40O4 | CC(C)OC(=O)C=CC1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12C |
|
AD00007 | -4.42 | 1023.21 | C41H66O11N16S2 | Cc1c(N)nc(C(CC(N)=O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(CCO)C(O)C(C)C(=O)NC(C(=O)NCCC1=NC(c2nc(C(=O)NCCCC(=N)N)cs2)CS1)C(C)(C)O)C(C)O |
|
AD00008 | 2.62 | 571.75 | C30H53O9N | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C2(C)CC(C)=C(O2)C(C)C(O)C1(C)OC |
|
AD00009 | -2.87 | 162.19 | C6H14O3N2 | NC1CC(N)C(O)C(O)C1O |
|
AD00010 | 1.95 | 287.25 | C12H18O5NP | COC(=O)C(NP(=O)(O)Oc1ccccc1)C(C)C |