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COCONUT Compound

benzyl beta-d-glucopyranoside

CNP0261916.1 · C13H18O6 · View on COCONUT ↗

2D Structure

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Identifiers

Namebenzyl beta-d-glucopyranoside
IUPAC Name(2~{R},3~{R},4~{S},5~{S},6~{R})-2-benzyloxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
COCONUT IDCNP0261916.1
CAS4304-12-5, 124492-59-7
InChIKeyGKHCBYYBLTXYEV-UJPOAAIJSA-N
InChIInChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1
SMILESOC[C@H]1O[C@@H](OCC2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O

Properties

Molecular FormulaC13H18O6
Molecular Weight270.28
Exact Mass270.11034
Log P (ALogP)-1.00
TPSA99.38
H-Bond Donors / Acceptors4 / 6
Rotatable Bonds4
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.56
NP-likeness1.61

Classification

NP PathwayShikimates and Phenylpropanoids
NP Superclass
NP Class
Chemical SuperclassOrganic oxygen compounds
Chemical ClassOrganooxygen compounds
Chemical SubclassCarbohydrates and carbohydrate conjugates

Reported in GR-MAPs Plants

Centella asiatica as “Centella asiatica” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Chlorophytum brovillianum as “Chlorophytum borivilianum” in COCONUT
Crocus sativus as “Crocus sativus” in COCONUT
Rauvolfia serpentina as “Rauvolfia serpentina” in COCONUT

References (81)

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Showing 40 of 81. See all references on COCONUT.

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.