aglycones

Molecular_Structure AD id AlogP MolWeight MolFormula Smiles
AD10301 3.03 836.15 C43H73O9N5S CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCN(CCC#N)C(=S)NCc2ccccc2)C(C)C(O)C1(C)O
AD10302 1.4 246.27 C12H14O2N4 Cc1cccc(Cn2cc(CNC(=O)O)nn2)c1
AD10303 1.98 276.29 C15H16O5 CC1C(O)=CC2=CC3CCC(O)C(=O)C3=C(O)C2=C1O
AD10304 5.24 2607.17 C79H103O42N27P8S8 COP(=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
AD10305 3.9 2920.39 C88H115O51N26P9S9 Cc1cn(C2CC(O)C(COP(=O)(S)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(S)OC3CC(n4ccc(N)nc4=O)OC3COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(S)OC3CC(n4ccc(N)nc4=O)OC3COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(S)OC3CC(n4cc(C)c(=O)[nH]c4=O)OC3COP(=O)(S)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(O)S)O2)c(=O)[nH]c1=O
AD10306 0.1 328.33 C16H16O4N4 Cn1c(=O)c2[nH]c(-c3ccc(OCC(N)=O)cc3)cc2n(C)c1=O
AD10307 2.86 820.08 C43H73O10N5 CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(CCCN(CCC#N)C(=O)NCc2ccccc2)C(C)C(O)C1(C)O
AD10308 4.78 488.49 C28H24O8 Oc1ccc(C2C(c3cc(O)cc(O)c3O)C(c3ccc(O)cc3)C2c2cc(O)cc(O)c2O)cc1
AD10309 5.7 393.49 C27H23O2N O=C(NCCc1ccccc1)c1cc(O)ccc1-c1ccc(-c2ccccc2)cc1
AD10310 3.27 308.37 C17H18ON5 CCCOc1ccc2c(c1)CCC2Nc1ncnc2c1N=C[N]2