aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD17021 | 3.25 | 479.61 | C26H41O7N | COc1nc(CC=C(C)CC(O)C(OC)C(C)=CC(C)C(O)C(C)=CCO)c(C)c(O)c1OC |
|
AD17022 | 3.63 | 318.76 | C18H15O4Cl | O=C(CCc1ccc2c(c1)OCCO2)c1c(O)cccc1Cl |
|
AD17023 | 0.44 | 194.19 | C10H10O4 | O=C(O)C=CCC1(O)C=CC(=O)C=C1 |
|
AD17024 | 3.19 | 437.47 | C23H19O6NS | CSCCC1C(=O)OC2c3cc(C)cc(O)c3C3=C(C(=O)c4c(O)cccc4C3=O)N12 |
|
AD17025 | 2.21 | 193.25 | C11H15O2N | CCNc1cccc(C)c1C(=O)OC |
|
AD17026 | 1.27 | 205.21 | C11H11O3N | Cc1c(O)ccc2c(CN)cc(=O)oc12 |
|
AD17027 | -1.26 | 2251.87 | C111H136O29N21Cl | 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)CCCc2ccccc2)C(C(N)=O)OC(=O)C(c2ccc(O)c(Cl)c2)NC(=O)C(C)NC1=O |
|
AD17028 | -0.28 | 149.15 | C7H7ON3 | CC#Cc1c[nH]c(=O)nc1N |
|
AD17029 | 5.93 | 1437.36 | C74H75O17N11Cl2 | NCCCN1CCCCN(CCCNC(=O)C2NC(=O)C3NC(=O)C(NC(=O)C4NC(=O)C5NC(=O)C(Cc6ccc(c(Cl)c6)Oc6cc4cc(c6O)Oc4ccc(cc4Cl)C3O)NC(=O)C(N)c3ccc(O)c(c3)Oc3cc(O)cc5c3)c3ccc(O)c(c3)-c3c(O)cc(O)cc32)CCCC1 |
|
AD17030 | 1.53 | 670.69 | C33H34O13S | COC(=O)CC1CC2(SC34CC(CCO)OC(C)C3(O)C(=O)c3c(O)cccc3C4=O)C(=O)c3cccc(O)c3C(=O)C2(O)C(C)O1 |