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Polifolioside

CAT: 0013-GTR19232090-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232090-01Size:1 mg
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Description
Polifolioside (CAS 112693-20-6) is a natural product suitable for use as an analytical reference standard. It is utilized in phytochemical and pharmacological research, including in vitro studies investigating bioactive plant constituents.
CAS Number
112693-20-6
Smiles
OC[C@@H]1O[C@@H] (Oc2c (oc3cc (O) cc (O) c3c2=O) -c2ccc (O) c (O) c2) [C@H] (O[C@@H]2OC[C@@H] (O) [C@H] (O) [C@H]2O) [C@H]1O
Molecular Formula
C25H26O15
Molecular Weight
566.468
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Quercetin 3-xylosyl-(1->2)-alpha-L-arabinofuranoside

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxolan-2-yl]oxychromen-4-one has been reported in Cenarrhenes nitida, Bellendena montana, and Persoonia gunnii with data available.

CAS Number112693-20-6
PubChem CID44259231
IUPAC Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxolan-2-yl]oxychromen-4-one
Molecular FormulaC25H26O15
Molecular Weight566.5
XLogP-0.5
Topological Polar Surface Area245
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Heavy Atom Count40
Formal Charge0
Complexity945
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O
InChI
InChI=1S/C25H26O15/c26-6-15-18(33)23(40-24-20(35)17(32)13(31)7-36-24)25(38-15)39-22-19(34)16-12(30)4-9(27)5-14(16)37-21(22)8-1-2-10(28)11(29)3-8/h1-5,13,15,17-18,20,23-33,35H,6-7H2/t13-,15+,17+,18+,20-,23-,24+,25+/m1/s1
InChIKey
ZUPASDOWHXCIHQ-BNUMRELZSA-N
Chemical Structure
2D Structure
2D structure of Quercetin 3-xylosyl-(1->2)-alpha-L-arabinofuranoside
CAS: 112693-20-6
CID: 44259231
Formula: C25H26O15
MW: 566.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight566.5
XLogP3-0.5
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count6
Exact Mass566.12717012
Monoisotopic Mass566.12717012
Topological Polar Surface Area245 Ų
Heavy Atom Count40
Formal Charge0
Complexity945
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS5791820Polifolioside

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