Firstly, think of a diagonal of a square.
A---------------B
C---------------D
It would A to D, D to A, C to B, or B to C. With a three dimensional cube, similarly, it is from one corner to the other "extreme" corner. That is the corner most farthest away. So if you are at the near-top-right corner, the diagonal would be a line to the far-bottom-left corner.