The invention provides anionic water-soluble tetracyclic and pentacyclic bacteriochlorophyll derivatives (Bchls) containing at least one, preferably two or three, negatively charged groups and/or acidic groups that are converted to negatively charged groups at the physiological pH, preferably Bchls having a group COO<;->;, COS<;->;, SO3<;->;, PO3<;2->;, COOH, COSH, SO3H, and/or PO3H2 bound through an ester or amide bond to one or more of the positions 17<;3>;, 13<;3>;, and 3<;2>; of the tetracyclic or pentacyclic Bchl molecule, for photodynamic therapy and diagnosis.