Basic information
- CAS
38232-08-5- Standard SMILES
O=C(O)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1/C=C/c1ccccc1- InChIKey
UPCRMPLOWXXPFK-BNVRZUOOSA-N- Molecular formula
- C21H22O9
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.12638228
Overview
Gaylussacin is a glycoside and a stilbenoid.
Names & identifiers
- Preferred name
- Gaylussacin
- IUPAC
- 2-hydroxy-6-[(E)-2-phenylethenyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
- English name
- Benzoic acid,4-(a-D-glucopyranosyloxy)-2- hydroxy-6-(2-phenylethenyl)-,(E)-
- Molecular formula
- C21H22O9
- Molecular weight
- 418.39
Names & synonyms
Gaylussacin38232-08-5DTXSID9013181685-(beta-D-Glucosyloxy)-3-hydroxy-trans-stilbene-2-carboxylic acidRefChem:142747DTXCID201747956Benzoic acid, 4-(beta-D-glucopyranosyloxy)-2-hydroxy-6-[(1E)-2-phenylethenyl]-orb1991780CHEBI:191995AKOS0407349772-hydroxy-6-[(E)-2-phenylethenyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acidT124925
Show more names
Benzoic acid, 4-(β-D-glucopyranosyloxy)-2-hydroxy-6-[(1E)-2-phenylethenyl]-Benzoic acid,4-(a-D-glucopyranosyloxy)-2- hydroxy-6-(2-phenylethenyl)-,(E)-
4-(beta-D-Glucopyranosyloxy)-2-hydroxy-6-[(E)-2-phenylethenyl]benzoic acid
Database identifiers
- CAS
38232-08-5- PubChem CID
- 6443751
- DTXSID
DTXSID901318168- ChEBI
CHEBI:191995
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 591
Chemistry & industry
Suppliers4 total
上海萄普生物医药技术有限公司15900573766 18018507602 · [email protected]
曼斯特（成都）生物科技有限公司18011593992 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Gaylussacin is a stilbenoid and a glycoside.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…