Basic information
- CAS
90899-20-0- Standard SMILES
C=Cc1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1- InChIKey
DZMYOBBWRZTUTA-BMVMOQKNSA-N- Molecular formula
- C19H26O10
- Average molar mass
- 414.4 g/mol
- Monoisotopic mass
- 414.15259702
Overview
beta-D-Glucopyranoside, 4-ethenylphenyl 6-O-beta-D-xylopyranosyl- has been reported in Pteridium aquilinum with data available.
Names & identifiers
- Preferred name
- Ptelatoside A
- IUPAC
- (2S,3R,4S,5S,6R)-2-(4-ethenylphenoxy)-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
Names & synonyms
RefChem:930220Ptelatoside A90899-20-0Ptelatosid-ADTXSID3011969024-Ethenylphenyl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside4-Ethenylphenyl 6-O-I(2)-D-xylopyranosyl-I(2)-D-glucopyranosidebeta-D-Glucopyranoside, 4-ethenylphenyl 6-O-beta-D-xylopyranosyl-
Database identifiers
- CAS
90899-20-0- PubChem CID
- 185053
- DTXSID
DTXSID301196902
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 525
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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