aglycones

Molecular_Structure AD id AlogP MolWeight MolFormula Smiles
AD08861 2.53 408.18 C14H11O2N5I CC(=O)Nc1nc2c(c(OCc3ccc(I)cc3)n1)N=C[N]2
AD08862 4.93 614.82 C36H54O8 CC=CC(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC43C)C2CC1(C)C
AD08863 -5.83 6874.81 C218H288O117N64P19S19 COCCOC1C(SP(=O)([O-])OC)C(COP(=O)([O-])SC2C(COP(=O)([O-])SC3C(COP(=O)([O-])SC4C(COP(=O)([O-])SC5CC(n6cc(C)c(N)nc6=O)OC5COP(=O)([O-])SC5CC(n6cc(C)c(=O)[nH]c6=O)OC5COP(=O)([O-])SC5CC(n6cc(C)c(=O)[nH]c6=O)OC5COP(=O)([O-])SC5CC(n6cc(C)c(N)nc6=O)OC5COP(=O)([O-])SC5CC(n6cnc7c(=O)[nH]c(N)nc76)OC5COP(=O)([O-])SC5CC(n6cc(C)c(=O)[nH]c6=O)OC5COP(=O)([O-])SC5CC(n6cc(C)c(N)nc6=O)OC5COP(=O)([O-])SC5CC(n6cc(C)c(=O)[nH]c6=O)OC5COP(=O)([O-])SC5CC(n6cnc7c(=O)[nH]c(N)nc76)OC5COP(=O)([O-])SC5CC(n6cnc7c(N)ncnc76)OC5COP(=O)([O-])SC5C(COP(=O)([O-])SC6C(COP(=O)([O-])SC7C(COP(=O)([O-])SC8C(COP(=O)([O-])SC9C(CO)OC(n%10cnc%11c(=O)[nH]c(N)nc%11%10)C9OCCOC)OC(n9cc(C)c(N)nc9=O)C8OCCOC)OC(n8cc(C)c(N)nc8=O)C7OCCOC)OC(n7cc(C)c(=O)[nH]c7=O)C6OCCOC)OC(n6cc(C)c(N)nc6=O)C5OCCOC)OC(n5cnc6c(=O)[nH]c(N)nc65)C4OCCOC)OC(n4cc(C)c(N)nc4=O)C3OCCOC)OC(n3cnc4c(N)ncnc43)C2OCCOC)OC1n1cc(C)c(N)nc1=O
AD08864 3.58 444.61 C27H40O5 C=C1COC2(OC3CC4C5CC=C6CC(O)CC(O)C6(C)C5CCC4(C)C3C2C)C(O)C1
AD08865 2.47 202.21 C12H10O3 CC(=O)Oc1ccc2cc(O)ccc2c1
AD08866 1.29 330.25 C16H10O8 Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cc(O)c(O)c1C2=O
AD08867 -1.46 117.15 C4H11ON3 CN(C)CC(=O)NN
AD08868 1.44 198.65 C10H11ON2Cl CC(Cl)CNC(=O)c1ccccn1
AD08869 -0.14 361.48 C18H35O6N O=C(CCCCO)CCCCCCCC(O)C1NC(CO)C(O)C1O
AD08870 5.5 290.49 C20H34O C=CC(C)(O)CCC1C(C)=CCC2C(C)(C)CCCC12C