We parameterize the structure of the bottlebrush using molecular arguments to obtain a coarse-grained simulation model that exhibits near-quantitative matching to experimental measurements of intrinsic viscosity and hydrodynamic radius. The molecular information in these simulations provide access to further structural quantities, in particular those describing sub-molecule structures and molecular shape. For the former, we focus on how the radius of gyration of the overall molecule is related to the backbone and side-chain radii of gyration separately. This shows two physical limits, one where the side-chains dominate the overall structural measure, and the other in the long backbone limit where this length sets the molecular size. Finally, we characterize shape using asphericity and prolateness, which we use as quantitative measures to explore the geometric contributions to bottlebrush structures and the experimentally-measured values.