Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C56H42O12
- Molecular weight
- 906.9 g/mol
- IUPAC name
- (1S,8S,9R,16S)-9-[5-[(E)-2-[(2S,3S)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-2-hydroxyphenyl]-8,16-bis(4-hydroxyphenyl)-15-oxatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,10(17),11,13-hexaene-4,6,12-triol
- SMILES
- C1=CC(=CC=C1[C@@H]2[C@H](C3=C4[C@@H]([C@H](OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7=C(C=CC(=C7)/C=C/C8=C9[C@@H]([C@H](OC9=CC(=C8)O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O
- InChIKey
- XAXVWWYPKOGXSY-DBHYGPPCSA-N
- XLogP
- 9.8
- 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
- Mass
- 906.267627
Show 4 more facts
- found in taxon
- Vitis rotundifolia
- canonical SMILES
- C1=CC(=CC=C1C2C(C3=CC(=CC4=C3C(C(O4)C5=CC=C(C=C5)O)C6=CC(=CC(=C26)O)O)O)C7=C(C=CC(=C7)C=CC8=CC(=CC9=C8C(C(O9)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O)O
- chemical formula
- C₅₆H₄₂O₁₂
- isomeric SMILES
- C1=CC(=CC=C1[C@@H]2[C@H](C3=CC(=CC4=C3[C@@H]([C@H](O4)C5=CC=C(C=C5)O)C6=CC(=CC(=C26)O)O)O)C7=C(C=CC(=C7)/C=C/C8=CC(=CC9=C8[C@@H]([C@H](O9)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O)O)O
Sources (2)
via Wikidata · CC0