Bungeiside C
Basic information
- CAS
149475-53-6- Standard SMILES
CC(=O)c1ccc(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
YQOKGDRMWQLQNR-BMVMOQKNSA-N- Molecular formula
- C19H26O11
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 430.14751164
Overview
Bungeiside C is a glycoside.
Names & identifiers
- Preferred name
- Bungeiside C
- IUPAC
- 1-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethanone
- English name
- bungeiside C
- Molecular formula
- C19H26O11
- Molecular weight
- 430.4
Names & synonyms
Bungeiside C149475-53-6Bungeiside-C4-O-Priverosyl acetophenoneDTXSID60164278RefChem:917714DTXCID0086769Asterbatanoside A1-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethanoneorb1991056CHEMBL3402767SCHEMBL31131426
Show more names
Ethanone, 1-[4-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]phenyl]-
CHEBI:182246AKOS040735757NCGC00380492-01T1257944-Acetylphenyl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranosideEthanone, 1-(4-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)phenyl)-
Database identifiers
- CAS
149475-53-6- PubChem CID
- 127686
- DTXSID
DTXSID60164278- ChEMBL
CHEMBL3402767- ChEBI
CHEBI:182246- Nikkaji
- J514.470A
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 567
Physicochemical properties
- Boiling point
- 727.5 · 727.5±60.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- 12.69 · 12.69±0.70(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: Bungeiside C is a glycoside.
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Related reactions
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Compound notes
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