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Record Information
Version2.0
Created at2022-09-12 13:25:07 UTC
Updated at2022-09-12 13:25:08 UTC
NP-MRD IDNP0329221
Secondary Accession NumbersNone
Natural Product Identification
Common Namedeutzioside
DescriptionDeutzioside belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Thus, deutzioside is considered to be an isoprenoid. deutzioside is found in Deutzia crenata and Deutzia scabra. deutzioside was first documented in 2000 (PMID: 10948006). Based on a literature review very few articles have been published on Deutzioside.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC15H22O9
Average Mass346.3320 Da
Monoisotopic Mass346.12638 Da
IUPAC Name(2S,3R,4S,5S,6R)-2-{[(1S,2R,4S,5S,6S,10S)-5-hydroxy-7-methyl-3,9-dioxatricyclo[4.4.0.0^{2,4}]dec-7-en-10-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional Name(2S,3R,4S,5S,6R)-2-{[(1S,2R,4S,5S,6S,10S)-5-hydroxy-7-methyl-3,9-dioxatricyclo[4.4.0.0^{2,4}]dec-7-en-10-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
CAS Registry NumberNot Available
SMILES
CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]3O[C@H]3[C@@H](O)[C@H]12
InChI Identifier
InChI=1S/C15H22O9/c1-4-3-21-14(7-6(4)9(18)13-12(7)23-13)24-15-11(20)10(19)8(17)5(2-16)22-15/h3,5-20H,2H2,1H3/t5-,6-,7+,8-,9+,10+,11-,12-,13+,14+,15+/m1/s1
InChI KeyQSOURIMNVDBNHL-HJJINUIOSA-N
Experimental Spectra
Not Available
Predicted Spectra
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Deutzia crenataLOTUS Database
Deutzia scabraLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentO-glycosyl compounds
Alternative Parents
Substituents
  • Hexose monosaccharide
  • O-glycosyl compound
  • Monosaccharide
  • Oxane
  • Cyclic alcohol
  • Secondary alcohol
  • Acetal
  • Dialkyl ether
  • Oxirane
  • Ether
  • Polyol
  • Organoheterocyclic compound
  • Oxacycle
  • Alcohol
  • Primary alcohol
  • Hydrocarbon derivative
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-2.4ChemAxon
pKa (Strongest Acidic)12.2ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area141.37 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity75.29 m³·mol⁻¹ChemAxon
Polarizability33.21 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDC00010613
Chemspider ID391588
KEGG Compound IDC11671
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound443352
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Weigend M, Kufer J, Muller AA: Phytochemistry and the systematics and ecology of Loasaceae and Gronoviaceae (Loasales). Am J Bot. 2000 Aug;87(8):1202-10. [PubMed:10948006 ]
  2. LOTUS database [Link]