aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20971 | 4.46 | 375.33 | C21H11O2N3F2 | CN1C(=O)c2c(c3c4cc(F)ccc4[nH]c3c3[nH]c4ccc(F)cc4c23)C1=O |
|
AD20972 | 3.65 | 891.16 | C46H78O11N6 | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)Cc3ccc(-c4cn(CCCCCCCC(=O)NO)nn4)cc3)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O |
|
AD20973 | 2.83 | 811.14 | C42H74O9N4S | CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCNC(=S)NCCCc2ccccc2)C(C)C(O)C1(C)O |
|
AD20974 | 0.36 | 180.27 | C6H16O2N2S | CCCCCCNS(N)(=O)=O |
|
AD20975 | 3.41 | 302.89 | C17H31ON2Cl | CCCCCCC1CCN(C)C(C(=O)NCC(C)Cl)C1 |
|
AD20976 | 3.84 | 490.47 | C26H22O8N2 | Cc1c(O)ccc2cc(NC(=O)CC=CCC(=O)Nc3cc4ccc(O)c(C)c4oc3=O)c(=O)oc12 |
|
AD20977 | 1.24 | 382.5 | C21H34O6 | COC(=O)C1(C)CCCC2(C)C1C(O)C(O)C13CC(CCC21)C(O)(CO)C3 |
|
AD20978 | 1.46 | 239.66 | C12H10O3NCl | CC(=O)CC1(O)C(=O)Nc2ccc(Cl)cc21 |
|
AD20979 | 2.8 | 225.7 | C10H8N3ClS | Cn1c(-c2ccc(Cl)cc2)n[nH]c1=S |
|
AD20980 | 0.01 | 187.19 | C8H7N6 | C#CCNc1nc(N)nc2c1N=C[N]2 |