Syringalide A
Basic information
- CAS
110344-60-0- Standard SMILES
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)[C@@H](O)[C@H](OCCc2ccc(O)cc2)O[C@@H]1CO- InChIKey
PXAALZXMCCZTKN-WDIXTDMMSA-N- Molecular formula
- C23H26O10
- Average molar mass
- 462.4 g/mol
- Monoisotopic mass
- 462.15259702
Overview
Syringalide A has been reported in Syringa reticulata with data available.
Names & identifiers
- Preferred name
- Syringalide A
- IUPAC
- [(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Names & synonyms
110344-60-0Syringalide ASCHEMBL30901796DTXSID301377306beta-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl, 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-I(2)-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl, 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
Database identifiers
- CAS
110344-60-0- PubChem CID
- 6442891
- DTXSID
DTXSID301377306
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 635
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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