aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD06861 | 4.45 | 446.63 | C27H42O5 | CC(=O)C1C(OC(=O)CCC(C)CO)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C |
|
AD06862 | 8.49 | 681.84 | C44H39ON7 | Nc1ccc(C2c3ccc([nH]3)C(c3ccc(N)cc3)c3ccc([nH]3)C(c3ccc(O)cc3)c3ccc([nH]3)C(c3ccc(N)cc3)c3ccc2[nH]3)cc1 |
|
AD06863 | 3.23 | 226.25 | C15H11OF | COc1ccc(C#Cc2ccc(F)cc2)cc1 |
|
AD06864 | 0.23 | 226.23 | C11H14O5 | COC(=O)C1=COC(O)C2C(C)CC(=O)C12 |
|
AD06865 | -1.38 | 2258.26 | C110H131O29N21Cl2 | CC(C)CC1NC(=O)CNC(=O)C(c2ccc(O)cc2)NC(=O)C(C(C)O)NC(=O)C(c2ccc(O)cc2)NC(=O)C(CCCN)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)O)NC(=O)C(c2ccc(O)cc2)NC(=O)C(c2ccc(O)cc2)NC(=O)C(C(C)C)NC(=O)C(CCCN)NC(=O)C(c2ccc(O)cc2)NC(=O)C(CNC(=O)C(CC(N)=O)NC(=O)Cc2ccc(Cl)cc2)C(C(N)=O)OC(=O)C(c2ccc(O)c(Cl)c2)NC(=O)C(C)NC1=O |
|
AD06866 | 1.58 | 182.18 | C8H10O3N2 | CCOc1ccc(N)c([N+](=O)[O-])c1 |
|
AD06867 | 1.61 | 178.19 | C10H10O3 | COc1cc(C=CC=O)ccc1O |
|
AD06868 | 3.84 | 255.29 | C16H14ONF | COc1ccc(Cn2ccc3cccc(F)c32)cc1 |
|
AD06869 | 4.57 | 247.34 | C18H17N | c1ccc2c(c1)ccn2Cc1ccc(C2CC2)cc1 |
|
AD06870 | 2.79 | 211.68 | C9H6N3ClS | S=c1[nH]nc(-c2ccc(Cl)cc2)[nH]1 |