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COCONUT Compound

alpha-D-glucose

CNP0210547.11 · C6H12O6 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Namealpha-D-glucose
IUPAC Name(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol
COCONUT IDCNP0210547.11
CAS492-62-6, 27707-45-5, 26655-34-5
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
SMILESOC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O

Properties

Molecular FormulaC6H12O6
Molecular Weight180.16
Exact Mass180.06339
Log P (ALogP)-3.22
TPSA110.38
H-Bond Donors / Acceptors5 / 6
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.29
NP-likeness2.63

Classification

NP PathwayCarbohydrates
NP SuperclassSaccharides
NP ClassDisaccharides
Chemical SuperclassOrganic oxygen compounds
Chemical ClassOrganooxygen compounds
Chemical SubclassCarbohydrates and carbohydrate conjugates

Reported in GR-MAPs Plants

Withania somnifera as “Withania somnifera” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Rauvolfia serpentina as “Rauvolfia serpentina” in COCONUT

References (27)

  1. 10.1002/HLCA.19940770809
  2. 10.1002/PCA.2557
  3. 10.1002/PCA.656
  4. 10.1007/S10600-017-2003-6
  5. 10.1016/0031-9422(91)84139-J
  6. 10.1016/0031-9422(92)90044-Q
  7. 10.1016/B978-0-08-028853-6.50009-7
  8. 10.1016/J.CHROMA.2007.09.023
  9. 10.1016/J.PHYTOCHEM.2005.10.001
  10. 10.1016/J.PHYTOCHEM.2010.04.001
  11. 10.1016/S0008-6215(02)00025-3
  12. 10.1016/S0031-9422(00)90671-X
  13. 10.1016/j.phytochem.2016.08.008
  14. 10.1021/NP0495985
  15. 10.1021/NP0495985.S001
  16. 10.1021/NP50008A001
  17. 10.1021/pr070340k
  18. 10.1055/S-0028-1097463
  19. 10.1055/S-0028-1099459
  20. 10.1055/S-2006-957923
  21. 10.1055/S-2006-959389
  22. 10.1128/AAC.47.7.2065-2071.2003
  23. 10.1177/154405910208100613
  24. 10.1186/1471-2164-13-36
  25. 10.3109/13880209309082928
  26. 10.3389/FMOLB.2018.00096
  27. 10.3390/molecules22091396

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.