{"PropertyTable":{"Properties":[{"CID":265237,"MolecularFormula":"C28H38O6","MolecularWeight":"470.6","SMILES":"CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)CO","ConnectivitySMILES":"CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)CO","InChI":"InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1","InChIKey":"DBRXOUCRJQVYJQ-CKNDUULBSA-N","ExactMass":"470.26683893","MonoisotopicMass":"470.26683893","TPSA":96.4,"Charge":0,"HBondDonorCount":2,"HBondAcceptorCount":6,"RotatableBondCount":3,"HeavyAtomCount":34,"Title":"Withaferin A"}]}}