aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00591 | -0.32 | 131.18 | C5H13ON3 | CN(C)CCC(N)=NO |
|
AD00592 | 3.87 | 683.89 | C38H57O8N3 | COC(=O)C(Cc1c[nH]cn1)NC(=O)C12CCC(C)(C(=O)OC)CC1C1=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C1(C)CC2 |
|
AD00593 | 2.59 | 330.29 | C17H14O7 | COc1cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c(O)c1OC |
|
AD00594 | 5.7 | 639.85 | C38H54O6NF | COC(=O)C1(C)CCC2(C(=O)NCc3ccc(F)cc3)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1 |
|
AD00595 | 0.95 | 188.19 | C9H8ON4 | C=NNc1nc2ccccc2c(=O)[nH]1 |
|
AD00596 | 6.81 | 536.62 | C34H32O6 | O=C(O)Cc1cccc(-c2cc(CCC=CCCc3ccc(O)c(-c4ccccc4CC(=O)O)c3)ccc2O)c1 |
|
AD00597 | 1.37 | 543.7 | C28H49O9N | CC1CC(N(C)C)C(O)C(OC2C(C)CC3(CO3)C(=O)C(C)C(O)C(C)C(C)OC(=O)C(C)C(O)C2C)O1 |
|
AD00598 | 1.42 | 282.29 | C13H12ON7 | COc1ccccc1C=NNc1nc(N)c2c(n1)[N]C=N2 |
|
AD00599 | -0.63 | 709.8 | C31H51O10N9 | CC(C)CC(NC(=O)C(CCCN=C(N)N[N+](=O)[O-])NC(=O)NC(C(=O)OCc1ccccc1)C(C)C)C(=O)NCCCNC(CO)C(=O)O |
|
AD00600 | 0.59 | 232.24 | C12H12O3N2 | COc1ccc(Cn2c(=O)cc[nH]c2=O)cc1 |