Natural products have been relevant in drug discovery for many decades. They were the basis of early research in medicinal chemistry and drug discovery and have yielded valuable therapeutic agents. Out of drugs approved for clinical use by 2020, approximately 25 % are natural products or derived from them. Natural products have a diversity of privileged scaffolds and molecular fragments. An approach to maximizing the use of natural products for drug discovery using computational techniques is through the assembly and organization of natural products in compound databases. Examples of large natural product databases are the Collection of Open NatUral ProdUcts (COCONUT), SuperNatural 3.0, and the Universal Natural Product Database. Natural products unique and complex structures make them attractive to generate fragment libraries.