Basic information
- CAS
88510-08-1- Standard SMILES
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O- InChIKey
OKUGUNDXBGUFPA-OCGSKHJZSA-N- Molecular formula
- C20H30O10
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 430.18389715
Overview
2-Phenylethyl D-rutinoside has been reported in Atractylodes japonica, Citrus reticulata, and other organisms with data available.
Names & identifiers
- Preferred name
- 2-Phenylethyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
- IUPAC
- (2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
Names & synonyms
DTXSID0011659022-Phenylethyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside88510-08-1RefChem:1064165DTXCID0015973452-Phenylethyl D-rutinosideMEGxp0_000793orb1990265ACon1_000975beta-Phenylethanol beta-D-rutinosideAKOS040739974NCGC00169796-01
Show more names
NCGC00169796-02T130918BRD-K76613438-001-01-42-phenylethyl 6-O-alpha-l-rhamnopyranosyl-beta-d-glucopyranoside2-Phenylethyl 6-O-(6-deoxy-I+/--L-mannopyranosyl)-I(2)-D-glucopyranosideNCGC00169796-02_C20H30O10_2-Phenylethyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Database identifiers
- CAS
88510-08-1- PubChem CID
- 11166301
- DTXSID
DTXSID001165902- Nikkaji
- J363.752B
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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