Quercetin-3-arabinofuranoside
Basic information
- CAS
72581-58-9- Standard SMILES
O=c1c(OC2O[C@H](CO)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12- InChIKey
BDCDNTVZSILEOY-SGPCGWDZSA-N- Molecular formula
- C20H18O11
- Average molar mass
- 434.3 g/mol
- Monoisotopic mass
- 434.08491139
Overview
Quercetin-3-arabinofuranoside has been reported in Betula pendula and Betula pubescens with data available.
Names & identifiers
- Preferred name
- Quercetin-3-arabinofuranoside
- IUPAC
- 3-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Names & synonyms
quercetin-3-arabinofuranoside168293-37-672581-58-9SCHEMBL1626867DTXSID309934314H-1-Benzopyran-4-one, 3-(arabinofuranosyloxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl D-arabinofuranoside2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl pentofuranoside
Database identifiers
- CAS
72581-58-9- PubChem CID
- 5488539
- DTXSID
DTXSID30993431
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 711
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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