aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13641 | 5.14 | 486.78 | C28H58O4N2 | CC(N)C(O)CCCCCCCCCCCCCCC(=O)CCCCCCCC(O)C(N)CO |
|
AD13642 | 12.41 | 740.25 | C46H93O5N | CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCCCC |
|
AD13643 | 3.0 | 270.34 | C14H12ON3S | COc1ccc(CSc2ncnc3c2C=C[N]3)cc1 |
|
AD13644 | 4.26 | 464.43 | C23H20O7N4 | CC(=O)Nc1ccc(C(=O)Nc2ccccc2NC(=O)OCc2ccc(O)c([N+](=O)[O-])c2)cc1 |
|
AD13645 | 0.39 | 105.16 | C3H7ONS | CN(C)C(O)=S |
|
AD13646 | 0.41 | 195.23 | C7H7ON4S | CSc1nc2c(c(=O)n1C)N=C[N]2 |
|
AD13647 | 1.64 | 170.25 | C10H18O2 | C=CC(C)(O)CCC=C(C)CO |
|
AD13648 | 6.24 | 422.48 | C28H22O4 | Oc1ccc(C=Cc2cc(O)c3c(c2)OC(c2ccc(O)cc2)C3c2ccccc2)cc1 |
|
AD13649 | -6.43 | 1335.34 | C58H82O26N10 | COC(=O)c1cc(OCCNC(=O)c2cc(OCCNC(=O)COCC(=O)NCCO)cc(OCCNC(=O)COCC(=O)NCCO)c2)cc(OCCNC(=O)c2cc(OCCNC(=O)COCC(=O)NCCO)cc(OCCNC(=O)COCC(=O)NCCO)c2)c1 |
|
AD13650 | 2.56 | 372.42 | C21H24O6 | COc1ccc(C#CCC(O)C(O)c2ccc(OC)c(OC)c2)cc1OC |