aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22191 | -0.25 | 167.21 | C8H13ON3 | Nc1cc(CNCCO)ccn1 |
|
AD22192 | 1.27 | 372.37 | C20H20O7 | COc1cc2c(c3occc13)CC1OC(=O)C3(C)C1C21COC3(O)C(O)C1 |
|
AD22193 | 1.64 | 420.5 | C23H32O7 | CC12CCC3C(CCC4CC(O)C(O)CC43C(=O)O)C1(O)CCC2C1=CC(=O)OC1 |
|
AD22194 | 3.41 | 451.61 | C27H37O3N3 | Cc1ccccc1Cc1ccc(OCCCC(=O)NC(C)(C)C(=O)N2CCN(C)CC2)cc1 |
|
AD22195 | 1.99 | 662.98 | C23H33O13N2P2ClS | COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(CC(=O)c1ccc(Cl)cc1)C(=O)O |
|
AD22196 | 1.34 | 658.56 | C23H36O14N2P2S | COc1ccc(C(=O)CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC)C(=O)O)cc1 |
|
AD22197 | 1.5 | 341.46 | C19H27ON5 | CN(CCN(Cc1ccccn1)Cc1ccccn1)CC(=O)N(C)C |
|
AD22198 | 1.88 | 470.47 | C25H26O9 | CC(=O)OC1CC(O)(C(=O)OCc2ccccc2O)CC(O)C1OC(=O)C=Cc1ccccc1 |
|
AD22199 | 9.94 | 1104.46 | C62H73O6N9S2 | CCSCCNC(=S)NCCOCCOCCN(CCOCCOCCOc1ccc(-c2nc3cc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)ccc3[nH]2)cc1)C(=O)CCCc1ccc2ccc3cccc4ccc1c2c34 |
|
AD22200 | 2.5 | 528.62 | C27H32O2N10 | CN1CCN(c2ccc3nc(-c4ccc(OCCn5cc(COCc6cn(C)nn6)nn5)cc4)[nH]c3c2)CC1 |