This invention provides a composition of polyhydroxylated metallofullerene compound and its application in the preparation of antitumor pharmaceutical. In one embodiment, metallofullerol comprising the formula, M@C2m(OH)x, wherein M is selected from rare earth elements such as La or Gd； m is carbon atoms of 41 or 30； x is a number of hydroxyl group of from 10 to about 50. Actually, due to the reset of the neighboring hydroxyl, the numbers of O and H in Carbon cage are different, formula are thus written as M@C2mOxHy. Comparing to the clinical anticancer drugs such as Paclitaxel, Cyclophosphamide, and Cisplatin, metallofullerol of M@C2m(OH)x or M@C2mOxHy has superior advantages of higher antitumor efficiency, low dosage, low toxicity, and better biocompatibility.
