Paeonoside

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CAT#:1596-AR-P01060-05Size:150

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CAS Number

20309-70-0

Synonyms

1- (4-methoxy-2- (((2S,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) tetrahydro-2H-pyran-2-yl) oxy) phenyl) ethanone

Molecular Formula

C15H20O8

Molecular Weight

328.32

API Name

Paeonoside

Chemical Information

Paeonoside

Paeonoside is a glycoside.

CAS Number	20309-70-0
PubChem CID	442924
IUPAC Name	1-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
Molecular Formula	C15H20O8
Molecular Weight	328.31
XLogP	-0.8
Topological Polar Surface Area	126
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	403

SMILES

CC(=O)C1=C(C=C(C=C1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

InChI

InChI=1S/C15H20O8/c1-7(17)9-4-3-8(21-2)5-10(9)22-15-14(20)13(19)12(18)11(6-16)23-15/h3-5,11-16,18-20H,6H2,1-2H3/t11-,12-,13+,14-,15-/m1/s1

InChIKey

AVIUTYMRHHBXPB-UXXRCYHCSA-N

Chemical Structure

2D Structure

CAS: 20309-70-0

CID: 442924

Formula: C15H20O8

MW: 328.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	328.31
XLogP3	-0.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	328.11581759
Monoisotopic Mass	328.11581759
Topological Polar Surface Area	126 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	403
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
M37799-01	Paeonoside