Single-molecule transistors (SMTs) based on fullerenes and their derivatives have been recognized as a long-sought platform for studying the single-electron transport properties. H2O@C60 is a combination of fullerene and H2O, a typical light molecule. Here we use the ‘molecular surgery’ technique to synthesize the H2O@C60 molecule and then construct the H2O@C60 SMTs, together with the C60 SMTs. Evidences for single-electron transport have been obtained in our measurements, including explicit Coulomb blockade and Coulomb oscillations. We then calculated the detailed parameters of the H2O@C60 and C60 SMTs using a capacitance model derived from the Coulomb diamond feature, which gives a capacitance ratio of 1:5.05:8.52 for the H2O@C60 SMT and 1:29.5:74.8 for the C60 SMT. Moreover, the gate efficiency factor α turns out to be 0.0686 in the H2O@C60 SMT, about ten times larger than that in the C60 SMT. We propose that the enhanced gate efficiency in H2O@C60 SMT may be induced by the closer attachment of molecular orbital electron clouds to the gate substrate due to polarization effects of H2O.