Polifolioside

CAT: 0013-GTR19232090-04Size: 4 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19232090-04Size:4 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 Number	112693-20-6
PubChem CID	44259231
IUPAC Name	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
Molecular Formula	C25H26O15
Molecular Weight	566.5
XLogP	-0.5
Topological Polar Surface Area	245
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	6
Heavy Atom Count	40
Formal Charge	0
Complexity	945

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

CAS: 112693-20-6

CID: 44259231

Formula: C25H26O15

MW: 566.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	566.5
XLogP3	-0.5
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	6
Exact Mass	566.12717012
Monoisotopic Mass	566.12717012
Topological Polar Surface Area	245 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	945
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS5791820	Polifolioside

Polifolioside

Chemical Information

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