aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD20751 | 4.26 | 288.77 | C18H17O2Cl | COc1ccc(Cc2ccc3c(c2Cl)CC(C)O3)cc1 |
|
AD20752 | 5.13 | 298.81 | C20H19OCl | CC1Cc2c(ccc(Cc3ccc(C4CC4)cc3)c2Cl)O1 |
|
AD20753 | 3.51 | 288.73 | C17H13O3Cl | COc1ccc(Cc2ccc3c(c2Cl)C(=O)CO3)cc1 |
|
AD20754 | 5.0 | 316.83 | C20H21O2Cl | CCOc1ccc(Cc2ccc3c(c2Cl)C(C)(C)CO3)cc1 |
|
AD20755 | 0.65 | 268.26 | C13H10O2N5 | O=c1nc(NCc2ccccc2)[nH]c(=O)c2c1N=C[N]2 |
|
AD20756 | 4.04 | 574.71 | C32H46O9 | CCOC(=O)c1ccc(OCCC2CC(C)C(=O)C=CC(C)=CC(CO)C(CC)OC(=O)CC(O)C(C)C2O)cc1 |
|
AD20757 | 3.75 | 2764.35 | C135H183O20N41S2 | CNCCCCN(CC(=O)N(CCN)CC(=O)N(CCCNC(=O)CCCOc1cccc(-c2nc3ccc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)cc3[nH]2)c1)CC(=O)NCCCCCC(=O)NCCCCNCCCNC(=O)c1csc(-c2csc(CCNC(=O)C(NC(=O)C(C)C(O)C(C)NC(=O)C(NC(=O)c3nc(C(CC(N)=O)NCC(N)C(N)=O)nc(N)c3C)C(O)c3cnc[nH]3)C(C)O)n2)n1)C(=O)CN(C)C(=O)CN(CCCn1ccnc1)C(=O)CCCOc1cccc(-c2nc3ccc(-c4nc5cc(N6CCN(C)CC6)ccc5[nH]4)cc3[nH]2)c1 |
|
AD20758 | 3.13 | 209.25 | C14H11ON | N#CCc1cccc(-c2ccccc2O)c1 |
|
AD20759 | 1.07 | 300.36 | C14H24O5N2 | CC(=O)OCCNC(=O)C1CCCN1C(=O)OC(C)(C)C |
|
AD20760 | 3.92 | 617.82 | C35H55O8N | COC(=O)C(C)NC(=O)C12CCC(C)(C(=O)OC)CC1C1=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC3(C)C1(C)CC2 |