Peltatoside
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Basic information
- CAS
23284-18-6- Standard SMILES
O=c1c(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)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12- InChIKey
YNMFDPCLPIMRFD-KSPKLRDJSA-N- Molecular formula
- C26H28O16
- Average molar mass
- 596.5 g/mol
- Monoisotopic mass
- 596.1377348
Overview
peltatoside has been reported in Corydalis bungeana, Vicia sativa, and Calluna vulgaris with data available.
Names & identifiers
- Preferred name
- Peltatoside
- IUPAC
- 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
- English name
- Peltatoside
- Molecular formula
- C26H28O16
- Molecular weight
- 596.49
Names & synonyms
Peltatoside3-ArabinoglucosylquercetinEINECS 245-555-12-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one3-(6-O-(alpha-L-Arabinopyranosyl)-beta-D-glucopyranosyl) quercetin2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl)oxymethyl)oxan-2-yl)oxychromen-4-one2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((3R,4S,5S,6R)-3,4,5-trihydroxy-6-((1R,2R,3R)-1,2,3,4-tetrahydroxybutyl)oxan-2-yl)oxychromen-4-one2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(1R,2R,3R)-1,2,3,4-tetrahydroxybutyl]oxan-2-yl]oxychromen-4-oneRefChem:85918923284-18-6Quercetin-3-arabinoglucosideQuercetin 3-vicianoside
Show more names
PELTATOSIDE hplcPELTATOSIDE WITH HPLCquercetin-3-vicianosideQUERCETIN 3-ARABINOGLUCOSIDEPELARGONIDIN-3,5-DIGLUCOSIDE(PELARGONIN CHLORIDE(RG)
Properties
Computed structural propertiesFilling in
- XLogP
- -1.7
- Topological polar surface area
- 266 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 6
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 993
Experimental & physicochemical properties
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Physicochemical properties
- Melting point
- 210 °C · 210°C (dec.)
- Boiling point
- 994.8 · 994.8±65.0 °C(Predicted)
- Density
- 1.87 · 1.87±0.1 g/cm3(Predicted)
- pka
- 6.17 · 6.17±0.40(Predicted)
- LogP
- -1.44 · -1.440 (est)
- Hazard Codes
- Xi
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- hazard_code
- Xi
Chemistry & industry
Applications
DescriptionPeltatoside is a natural compound isolated from leaves of Annona crassiflora Mart., a plant widely used in folk medicine. This substance is an analogue of quercetin, a flavonoid extensively studied because of its diverse biological activities, including analgesic effects.pubmed.ncbi.nlm.nih.gov
UsesQuercetin-3-arabinoglucoside is an inhibitor of Leishmania major dihydroorotate dehydrogenase.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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