Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C30H26O12
- Molecular weight
- 578.5 g/mol
- IUPAC name
- (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
- SMILES
- C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
- InChIKey
- XFZJEEAOWLFHDH-AVFWISQGSA-N
- XLogP
- 2.4
- Polar surface area
- 221 Ų
- H-bond donors
- 10
- H-bond acceptors
- 12
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Subclass of
- procyanidin
- Mass
- 578.142426
Show 5 more facts
- found in taxon
- Vitis vinifera
- chemical formula
- C₃₀H₂₆O₁₂
- isomeric SMILES
- C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@H]3[C@@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
- canonical SMILES
- C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
- has characteristic
- bitterness
Sources (2)
via Wikidata · CC0