aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD00941 | 3.48 | 547.48 | C27H21O10N3 | Cc1c(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)c[nH]c1C(=O)Nc1c(O)c2ccc(O)c(C)c2oc1=O |
|
AD00942 | 2.99 | 170.25 | C10H18O2 | C=CCCCCCCCC(=O)O |
|
AD00943 | 3.08 | 184.28 | C11H20O2 | C=CCCCCCCCC(=O)OC |
|
AD00944 | 4.22 | 265.4 | C19H23N | CC(C)(C)c1ccc(C2NCCc3ccccc32)cc1 |
|
AD00945 | 3.3 | 754.87 | C38H42O7N8S | CCC1(OC(=O)C(NC(=O)C(CCCN=C(N)N)N=C(S)Nc2ccc(O)cc2)C(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 |
|
AD00946 | -0.39 | 89.09 | C3H7O2N | C=NOCCO |
|
AD00947 | 1.15 | 131.22 | C7H17ON | COCCCCCCN |
|
AD00948 | 1.7 | 161.2 | C10H11ON | OCCc1cc2ccccc2[nH]1 |
|
AD00949 | 2.84 | 244.29 | C14H16O2N2 | CCCCCCC#Cc1cc2c[nH]c(=O)nc2o1 |
|
AD00950 | 0.27 | 2350.36 | C116H135O30N21Cl2 | 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)c2ccc(OCc3cccc(Cl)c3)cc2)C(C(N)=O)OC(=O)C(c2ccc(O)c(Cl)c2)NC(=O)C(C)NC1=O |