aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD22471 | 1.29 | 341.15 | C9H13O9NP2 | COP(=O)(O)OP(=O)(O)OCc1cnc(C)c(O)c1C=O |
|
AD22472 | 1.37 | 201.21 | C10H9ON4 | COc1ncnc2c1-c1c(ccn1C)[N]2 |
|
AD22473 | 0.91 | 138.12 | C7H6O3 | O=Cc1cccc(O)c1O |
|
AD22474 | 5.2 | 507.72 | C31H45O3N3 | Cc1cc(C=CC(C)(C)C(=O)NC(C)(C)C(=O)NCC(C)(C)N)ccc1Cc1ccc(O)cc1C(C)C |
|
AD22475 | 1.96 | 780.95 | C41H64O14 | CC1C=CC=CCCC=CC=CC=CC=CC(O)CC(O)C(C(=O)O)C(O)CC(=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C1O |
|
AD22476 | 8.1 | 1538.42 | C75H66O20N10Cl2S2 | CCCCSC1=C(SCCCC)C(=O)N(Cc2cn(C3C(=O)NC4Cc5ccc(c(Cl)c5)Oc5cc6cc(c5O)Oc5ccc(cc5Cl)C(O)C5NC(=O)C(NC(O)C6NC(=O)C(NC4=O)c4cc(O)cc(c4)Oc4cc3ccc4O)c3ccc(O)c(c3)-c3c(O)cc(O)cc3C(C(=O)O)NC5=O)nn2)C1=O |
|
AD22477 | -2.42 | 938.09 | C41H59O9N15S | CSCCC(NC(=O)C=NO)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1cnc[nH]1)C(=O)NC(C)C(N)=O |
|
AD22478 | -0.03 | 178.19 | C8H10ON4 | CNCc1c[nH]c2c(=O)[nH]cnc12 |
|
AD22479 | 5.32 | 686.93 | C40H62O9 | CC=C(C)C(=O)OC1C(OC(=O)CC(C)C)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(O)C(C)(C=O)C4CCC3(C)C1(C)C(O)C2O |
|
AD22480 | 1.22 | 205.3 | C7H11O2NS2 | CCc1ccc(S(=O)(=O)NC)s1 |