Basic information
- CAS
5996-35-0- Standard SMILES
CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
BGSGYDHAVKDHQK-OCFMYHKXSA-N- Molecular formula
- C13H24O10
- Average molar mass
- 340.32 g/mol
- Monoisotopic mass
- 340.13694696
Names & identifiers
- Preferred name
- Gaultherioside
- IUPAC
- (2R,3R,4S,5S,6R)-2-ethoxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
Names & synonyms
GaultheriosideEthyl primeverosideGaultherioside [MI]3US75L6X7W5996-35-0UNII-3US75L6X7WGlucopyranoside, ethyl 6-o-beta-D-xylopyranosyl-, beta-D-Glucopyranoside, ethyl 6-O-.beta.-D-xylopyranosyl-, .beta.-D-Q27258051
Database identifiers
- CAS
5996-35-0- PubChem CID
- 90479210
- UNII
- 3US75L6X7W
Properties
Computed structural properties
- XLogP
- -3.8
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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