aglycones

Molecular_Structure AD id AlogP MolWeight MolFormula Smiles
AD00291 0.12 260.38 C13H28O3N2 CCCCCCCOC1C(N)CC(N)C(O)C1O
AD00292 4.9 274.36 C20H18O OCCCCc1cc2ccc3cccc4ccc(c1)c2c34
AD00293 1.28 678.86 C33H62O12N2 CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)C(=NOCOCCOC)C(C)C(O)C1(C)O
AD00294 -2.09 2234.8 C109H129O29N22Cl CC(C)CC1NC(=O)CNC(=O)C(c2ccc(O)cc2)NC(=O)C(C(C)O)NC(=O)C(c2ccc(O)cc2)NC(=O)C(CCCN)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)O)NC(=O)C(c2ccc(O)cc2)NC(=O)C(c2ccc(O)cc2)NC(=O)C(C(C)C)NC(=O)C(CCCN)NC(=O)C(c2ccc(O)cc2)NC(=O)C(CNC(=O)C(CC(N)=O)NC(=O)c2ccc(C#N)cc2)C(C(N)=O)OC(=O)C(c2ccc(O)c(Cl)c2)NC(=O)C(C)NC1=O
AD00295 5.37 561.8 C27H60O3N7P CCCCCCCCCCCCCCCCOP(=O)(CCN(CCCNC(=N)N)CCCNC(=N)N)OC
AD00296 -1.99 220.25 C8H12O5S COCCCSC(CC(=O)[O-])C(=O)[O-]
AD00297 -2.64 206.22 C7H10O5S O=C([O-])CC(SCCCO)C(=O)[O-]
AD00298 3.52 302.36 C17H10N4S N#Cc1c(N)nc(S)c(C#N)c1-c1ccc2ccccc2c1
AD00299 0.97 120.15 C7H8N2 N=C(N)c1ccccc1
AD00300 1.65 374.39 C20H22O7 CC12CC(c3ccoc3)OC(=O)C1(O)CC1OC(=O)C3(O)C=CCC2C13C