Record Information
Version1.0
Creation date2010-04-08 22:13:50 UTC
Update date2019-11-26 03:16:26 UTC
Primary IDFDB018639
Secondary Accession NumbersNot Available
Chemical Information
FooDB NamePisatoside
DescriptionPisatoside 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. Pisatoside is a very strong basic compound (based on its pKa). Pisatoside has been detected, but not quantified in, common pea and pulses. This could make pisatoside a potential biomarker for the consumption of these foods.
CAS Number18814-39-6
Structure
Thumb
Synonyms
Predicted Properties
PropertyValueSource
Water Solubility70.8 g/LALOGPS
logP-2.3ALOGPS
logP-4.9ChemAxon
logS-0.57ALOGPS
pKa (Strongest Acidic)-4.8ChemAxon
pKa (Strongest Basic)11ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area131.97 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity56.62 m³·mol⁻¹ChemAxon
Polarizability23.62 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC10H15NO7
IUPAC name(2S,3R,4S,5S,6R)-2-[(2-hydroxy-3H-pyrrol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI IdentifierInChI=1S/C10H15NO7/c12-3-5-6(13)7(14)8(15)10(18-5)17-4-1-2-11-9(4)16/h1-2,4-8,10,12-15H,3H2,(H,11,16)/t4?,5-,6-,7+,8-,10-/m1/s1
InChI KeyFHWQHJHJIXDREE-WZCUVWOCSA-N
Isomeric SMILESOC[C@H]1O[C@@H](OC2C=CNC2=O)[C@H](O)[C@@H](O)[C@@H]1O
Average Molecular Weight261.2286
Monoisotopic Molecular Weight261.084851839
Classification
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
  • Oxane
  • Monosaccharide
  • Pyrroline
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Lactam
  • Carboxamide group
  • Oxacycle
  • Azacycle
  • Organoheterocyclic compound
  • Polyol
  • Carboxylic acid derivative
  • Acetal
  • Organic nitrogen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary alcohol
  • Organonitrogen compound
  • Carbonyl group
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
Spectra
SpectraNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound IDNot Available
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB39127
CRC / DFC (Dictionary of Food Compounds) IDLMC51-U:LMC52-V
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
Processing...
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference