aglycones

Molecular_Structure AD id AlogP MolWeight MolFormula Smiles
AD16051 2.44 234.25 C13H14O4 COc1cc(C=CC(O)=CC(C)=O)ccc1O
AD16052 -1.58 358.01 C4H10O11P4 COP(=O)([O-])CP(=O)([O-])OP(=O)([O-])CP(=O)([O-])OC
AD16053 0.61 125.13 C5H7ON3 CC(=NO)c1ncc[nH]1
AD16054 11.33 740.17 C46H81O4N3 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)c1cnn(CCCCCCCc2ccccc2)c1
AD16055 1.65 193.27 C9H11N3S CNCc1cccn1-c1nccs1
AD16056 -1.37 621.59 C20H41O11N5P2S COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSCC(=O)NCCN1CCNCC1
AD16057 0.86 2451.47 C117H142O29N28Cl2 CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NCCCOCCOCCOCCCNC(=O)CCc4cn(CCCNC(=O)CCC(NC(=O)c5cc6cc(c5)CN(C(=O)C(Cc5c[nH]cn5)NC(C)=O)CCCN(C(=O)C(Cc5c[nH]cn5)NC(C)=O)CCCN(C(=O)C(Cc5c[nH]cn5)NC(C)=O)C6)C(N)=O)nn4)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O
AD16058 9.14 4828.99 C146H190O80N47P15S15 COP(=O)(S)OC1CC(n2ccc(N)nc2=O)OC1COP(=O)(S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(S)OC1CC(n2ccc(N)nc2=O)OC1COP(=O)(S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(S)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(S)OC1CC(n2ccc(N)nc2=O)OC1COP(=O)(S)OC1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(S)OC1CC(n2cnc3c(=O)[nH]c(N)nc32)OC1COP(=O)(S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(S)OC1CC(n2ccc(N)nc2=O)OC1COP(=O)(S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(S)OC1CC(n2cnc3c(N)ncnc32)OC1COP(=O)(S)OC1CC(n2cc(C)c(=O)[nH]c2=O)OC1COP(=O)(S)OC1CC(n2ccc(N)nc2=O)OC1CO
AD16059 -0.02 683.56 C20H27O12N7P2S2 Cc1cn(C2CC(O)C(COP(=O)(S)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(O)S)O2)c(=O)[nH]c1=O
AD16060 2.07 328.38 C16H20O2N6 CNc1nc(NCCc2ccc(OC)c(OC)c2)nc2[nH]cnc12