Wubangziside B
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Basic information
- CAS
96935-32-9- Standard SMILES
O=c1c2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2oc2cccc(O)c12- InChIKey
XPJKXAFFVPUMHO-LQDZTQBFSA-N- Molecular formula
- C19H18O9
- Average molar mass
- 390.3 g/mol
- Monoisotopic mass
- 390.09508215
Overview
wubangziside B has been reported in Polygala wattersii with data available.
Names & identifiers
- Preferred name
- Wubangziside B
- IUPAC
- 1-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
- English name
- wubangziside B
- Molecular formula
- C19H18O9
- Molecular weight
- 390.34
Names & synonyms
Wubangziside BEuxanthone-7-O-glucopyranoside96935-32-9DTXSID002426451-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one9H-Xanthen-9-one, 7-(beta-D-glucopyranosyloxy)-1-hydroxy-1-hydroxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyxanthen-9-oneRefChem:195031DTXCID301651368-Hydroxy-9-oxo-9H-xanthen-2-yl beta-D-glucopyranoside9H-Xanthen-9-one, 7-(β-D-glucopyranosyloxy)-1-hydroxy-
Database identifiers
- CAS
96935-32-9- PubChem CID
- 5486995
- DTXSID
DTXSID00242645
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 572
Physicochemical properties
- Boiling point
- 725.4 · 725.4±60.0 °C(Predicted)
- Density
- 1.632 · 1.632±0.06 g/cm3(Predicted)
- pka
- 7.18 · 7.18±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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