aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD23211 | 1.6 | 100.16 | C6H12O | C=CC(C)(C)OC |
|
AD23212 | 1.57 | 449.59 | C25H39O6N | COCC1CCC2(C)C1=CC1(C)C(=C(C(C)CNC(=O)C3CO3)CC1O)C(O)C(O)C2C |
|
AD23213 | 0.93 | 345.56 | C7H12O7NF2P2Cl | COP(=O)(O)C(F)(F)P(=O)(O)OCCNC(=O)CCl |
|
AD23214 | 1.49 | 316.18 | C9H18O8P2 | COC(=O)C=CCCCOP(=O)(O)CP(=O)(O)OC |
|
AD23215 | -9.62 | 1571.44 | C69H86O22N16Br | CC(C=Cc1ccccc1)=CC(O)C1CC(=O)NC(CO)C(=O)NC2C[N+]3=C[N]C(=C3)CC(NC(=O)CCCC(C(=O)[O-])NC(=O)C(O)CNC(=O)C(Cc3ccc(Br)cc3)NC(=O)C(C(O)C(N)=O)NC(=O)C(CC(N)=O)NC2=O)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(Cc2ccccc2)C(=O)N1 |
|
AD23216 | 2.22 | 374.3 | C18H14O9 | COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1OC(C)=O |
|
AD23217 | 2.22 | 408.54 | C23H36O6 | COCC1CCC2C1=CC1(C)C(=C(C(C)COC(C)=O)CC1O)C(O)C(O)C2C |
|
AD23218 | 2.75 | 436.45 | C22H22O5N5 | CCOC(=O)C1=C(C)Oc2nc(C)n(CC3=C[N]N=N3)c(=O)c2C1c1cccc(OC)c1 |
|
AD23219 | 6.4 | 726.26 | C40H48O10NCl | CC(=CC(C)C(O)C(C)C=CC(O)CC=C(C)C(=O)CC(O)C(C)C=CC=CC=CC(=O)Nc1c(Cl)c(O)c2cc(O)c(C)cc2c1O)C(=O)O |
|
AD23220 | -4.08 | 866.04 | C37H67O9N15 | CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CO)n1cc(CN(C)CCC(N)C(=O)O)nn1)C(=O)NC(C)C(N)=O |