Structure via PubChem · Public domain (PubChem)
eugeniin
Sign in to saveAlso known as Tellimagrandin II, Cornustannin 2, 1,2,3-trigalloyl-4,6-hexahydroxydiphenoyl beta-D-glucopyranose
chemical compound
Chemical data
- Formula
- C41H30O26
- Molecular weight
- 938.7 g/mol
- IUPAC name
- [(10R,11S,12R,13S,15R)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-12,13-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3,4,5-trihydroxybenzoate
- SMILES
- C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
- InChIKey
- JCGHAEBIBSEQAD-UUUCSUBKSA-N
- XLogP
- 2.4
- 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
- 938.102531
Show 4 more facts
- found in taxon
- Combretum malabaricum
- chemical formula
- C₄₁H₃₀O₂₆
- isomeric SMILES
- C1=C(C=C(C(=C1O)O)O)C(=O)O[C@]2([C@]3([C@@](COC(C4=CC(=C(C(=C4C=5C(=CC(=C(C5O)O)O)C(=O)O3)O)O)O)=O)(O[C@]([C@@]2(OC(C6=CC(=C(C(=C6)O)O)O)=O)[H])(OC(C7=CC(=C(C(=C7)O)O)O)=O)[H])[H])[H])[H]
- canonical SMILES
- C1=C(C=C(C(=C1O)O)O)C(=O)OC2(C3(C(COC(C4=CC(=C(C(=C4C=5C(=CC(=C(C5O)O)O)C(=O)O3)O)O)O)=O)(OC(C2(OC(C6=CC(=C(C(=C6)O)O)O)=O)[H])(OC(C7=CC(=C(C(=C7)O)O)O)=O)[H])[H])[H])[H]
Sources (1)
via Wikidata · CC0