Structure via PubChem · Public domain (PubChem)
casuarictin
Sign in to saveCasuarictin is an ellagitannin, a type of hydrolysable tannin. It can be found in Casuarina and Stachyurus species.
Chemical data
- Formula
- C41H28O26
- Molecular weight
- 936.6 g/mol
- IUPAC name
- [(1R,2S,19R,20S,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl] 3,4,5-trihydroxybenzoate
- SMILES
- C1[C@@H]2[C@H]([C@H]3[C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O
- InChIKey
- SWRFKGRMQVLMKA-JIZJWZDPSA-N
- XLogP
- 2.1
- Polar surface area
- 444 Ų
- H-bond donors
- 15
- H-bond acceptors
- 26
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Mass
- 936.086881016
Show 4 more facts
- found in taxon
- Syzygium aqueum
- canonical SMILES
- C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O
- chemical formula
- C₄₁H₂₈O₂₆
- isomeric SMILES
- O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]12)c1cc(O)c(O)c(O)c1
via Wikidata · CC0
~1 min read
Encyclopedic overview
2 sectionsContents
- Oligomers
- References
Casuarictin is an ellagitannin, a type of hydrolysable tannin. It can be found in Casuarina and Stachyurus species.
It is formed from two hexahydroxydiphenic acid units and one gallic acid unit linked to a glucose molecule.
Excerpted from Wikipedia’s “casuarictin” article, available under the CC BY-SA 4.0 licence.