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Benzyl b-primeveroside

CAT: 0013-GTR19227900-01Size: 1 mgDry Ice: NoHazardous: No
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Description
Benzyl b-primeveroside (CAS 130622-31-0) is a valuable research chemical for life science studies. It serves as a key substrate in enzymatic assays for glycosidases and is utilized in research exploring glycoside metabolism and flavor precursor pathways in both in vitro and plant-based systems.
CAS Number
130622-31-0
Smiles
O[C@@H]1CO[C@@H] (OC[C@H]2O[C@@H] (OCc3ccccc3) [C@H] (O) [C@@H] (O) [C@@H]2O) [C@H] (O) [C@H]1O
Molecular Formula
C18H26O10
Molecular Weight
402.396
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Benzyl beta-primeveroside

Benzyl beta-primeveroside is a 6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranoside in which the anomeric substituent is specified as benzyl. It has a role as a Camellia sinensis metabolite. It is functionally related to a benzyl alcohol.

CAS Number130622-31-0
PubChem CID131248
IUPAC Name(2R,3R,4S,5S,6R)-2-phenylmethoxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
Molecular FormulaC18H26O10
Molecular Weight402.4
XLogP-2.8
Topological Polar Surface Area158
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity473
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCC3=CC=CC=C3)O)O)O)O)O)O
InChI
InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1
InChIKey
WOGBNISMMIOPAZ-NWQIESHVSA-N
Chemical Structure
2D Structure
2D structure of Benzyl beta-primeveroside
CAS: 130622-31-0
CID: 131248
Formula: C18H26O10
MW: 402.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.4
XLogP3-2.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass402.15259702
Monoisotopic Mass402.15259702
Topological Polar Surface Area158 Ų
Heavy Atom Count28
Formal Charge0
Complexity473
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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