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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 20:19:34 UTC
Update Date2022-03-07 02:54:28 UTC
HMDB IDHMDB0035352
Secondary Accession Numbers
  • HMDB35352
Metabolite Identification
Common NameOleuroside
DescriptionOleuroside belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Based on a literature review a small amount of articles have been published on Oleuroside.
Structure
Data?1563862705
Synonyms
ValueSource
Methyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acidHMDB
Chemical FormulaC25H32O13
Average Molecular Weight540.5138
Monoisotopic Molecular Weight540.18429111
IUPAC Namemethyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethenyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate
Traditional Namemethyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-ethenyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4H-pyran-3-carboxylate
CAS Registry Number116383-31-4
SMILES
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC(=O)OCCC1=CC(O)=C(O)C=C1
InChI Identifier
InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,13-14,18,20-22,24-28,30-32H,1,6-7,9-10H2,2H3
InChI KeyWWKVQWHAWPZZDB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassSesquiterpenoids
Direct ParentSesquiterpenoids
Alternative Parents
Substituents
  • Daucane sesquiterpenoid
  • Sesquiterpenoid
  • Tertiary alcohol
  • Cyclic alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Alcohol
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Biological location

Source

Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility1918 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.74 g/LALOGPS
logP0.22ALOGPS
logP0.021ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)9.28ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area201.67 ŲChemAxon
Rotatable Bond Count12ChemAxon
Refractivity127.54 m³·mol⁻¹ChemAxon
Polarizability53.78 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+220.71831661259
DarkChem[M-H]-212.72731661259
DeepCCS[M+H]+215.74530932474
DeepCCS[M-H]-213.34930932474
DeepCCS[M-2H]-246.23230932474
DeepCCS[M+Na]+221.77230932474
AllCCS[M+H]+222.332859911
AllCCS[M+H-H2O]+220.832859911
AllCCS[M+NH4]+223.632859911
AllCCS[M+Na]+224.032859911
AllCCS[M-H]-212.232859911
AllCCS[M+Na-2H]-213.932859911
AllCCS[M+HCOO]-216.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
OleurosideCOC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC(=O)OCCC1=CC(O)=C(O)C=C14667.1Standard polar33892256
OleurosideCOC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC(=O)OCCC1=CC(O)=C(O)C=C13860.5Standard non polar33892256
OleurosideCOC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC(=O)OCCC1=CC(O)=C(O)C=C14338.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Oleuroside,1TMS,isomer #1C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14218.9Semi standard non polar33892256
Oleuroside,1TMS,isomer #2C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14214.3Semi standard non polar33892256
Oleuroside,1TMS,isomer #3C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14201.8Semi standard non polar33892256
Oleuroside,1TMS,isomer #4C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14226.9Semi standard non polar33892256
Oleuroside,1TMS,isomer #5C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C14154.4Semi standard non polar33892256
Oleuroside,1TMS,isomer #6C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C14173.1Semi standard non polar33892256
Oleuroside,2TMS,isomer #1C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14144.3Semi standard non polar33892256
Oleuroside,2TMS,isomer #10C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14143.2Semi standard non polar33892256
Oleuroside,2TMS,isomer #11C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C14069.1Semi standard non polar33892256
Oleuroside,2TMS,isomer #12C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C14051.8Semi standard non polar33892256
Oleuroside,2TMS,isomer #13C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C14079.1Semi standard non polar33892256
Oleuroside,2TMS,isomer #14C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C14057.3Semi standard non polar33892256
Oleuroside,2TMS,isomer #15C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C14097.3Semi standard non polar33892256
Oleuroside,2TMS,isomer #2C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14122.2Semi standard non polar33892256
Oleuroside,2TMS,isomer #3C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14149.5Semi standard non polar33892256
Oleuroside,2TMS,isomer #4C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C14054.3Semi standard non polar33892256
Oleuroside,2TMS,isomer #5C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C14046.2Semi standard non polar33892256
Oleuroside,2TMS,isomer #6C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14148.3Semi standard non polar33892256
Oleuroside,2TMS,isomer #7C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14151.0Semi standard non polar33892256
Oleuroside,2TMS,isomer #8C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C14087.3Semi standard non polar33892256
Oleuroside,2TMS,isomer #9C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C14070.5Semi standard non polar33892256
Oleuroside,3TMS,isomer #1C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14077.9Semi standard non polar33892256
Oleuroside,3TMS,isomer #10C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C14003.9Semi standard non polar33892256
Oleuroside,3TMS,isomer #11C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14081.2Semi standard non polar33892256
Oleuroside,3TMS,isomer #12C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C13991.5Semi standard non polar33892256
Oleuroside,3TMS,isomer #13C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C13975.5Semi standard non polar33892256
Oleuroside,3TMS,isomer #14C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C13987.4Semi standard non polar33892256
Oleuroside,3TMS,isomer #15C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C13976.8Semi standard non polar33892256
Oleuroside,3TMS,isomer #16C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C14028.5Semi standard non polar33892256
Oleuroside,3TMS,isomer #17C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C13973.1Semi standard non polar33892256
Oleuroside,3TMS,isomer #18C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C13956.1Semi standard non polar33892256
Oleuroside,3TMS,isomer #19C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C14003.8Semi standard non polar33892256
Oleuroside,3TMS,isomer #2C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14081.9Semi standard non polar33892256
Oleuroside,3TMS,isomer #20C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C14013.3Semi standard non polar33892256
Oleuroside,3TMS,isomer #3C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C13975.1Semi standard non polar33892256
Oleuroside,3TMS,isomer #4C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C13967.0Semi standard non polar33892256
Oleuroside,3TMS,isomer #5C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14056.0Semi standard non polar33892256
Oleuroside,3TMS,isomer #6C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C13968.2Semi standard non polar33892256
Oleuroside,3TMS,isomer #7C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C13960.9Semi standard non polar33892256
Oleuroside,3TMS,isomer #8C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C13972.7Semi standard non polar33892256
Oleuroside,3TMS,isomer #9C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C13964.5Semi standard non polar33892256
Oleuroside,4TMS,isomer #1C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14003.2Semi standard non polar33892256
Oleuroside,4TMS,isomer #10C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C13951.7Semi standard non polar33892256
Oleuroside,4TMS,isomer #11C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C13891.3Semi standard non polar33892256
Oleuroside,4TMS,isomer #12C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C13874.9Semi standard non polar33892256
Oleuroside,4TMS,isomer #13C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C13955.5Semi standard non polar33892256
Oleuroside,4TMS,isomer #14C=CC1C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C13959.1Semi standard non polar33892256
Oleuroside,4TMS,isomer #15C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C13932.9Semi standard non polar33892256
Oleuroside,4TMS,isomer #2C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C13926.2Semi standard non polar33892256
Oleuroside,4TMS,isomer #3C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C13913.1Semi standard non polar33892256
Oleuroside,4TMS,isomer #4C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C13911.8Semi standard non polar33892256
Oleuroside,4TMS,isomer #5C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C13895.9Semi standard non polar33892256
Oleuroside,4TMS,isomer #6C=CC1C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C13955.4Semi standard non polar33892256
Oleuroside,4TMS,isomer #7C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O)=C13893.9Semi standard non polar33892256
Oleuroside,4TMS,isomer #8C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C)=C13879.5Semi standard non polar33892256
Oleuroside,4TMS,isomer #9C=CC1C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C13944.7Semi standard non polar33892256
Oleuroside,1TBDMS,isomer #1C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14409.5Semi standard non polar33892256
Oleuroside,1TBDMS,isomer #2C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14442.7Semi standard non polar33892256
Oleuroside,1TBDMS,isomer #3C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14432.8Semi standard non polar33892256
Oleuroside,1TBDMS,isomer #4C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14447.9Semi standard non polar33892256
Oleuroside,1TBDMS,isomer #5C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C14383.3Semi standard non polar33892256
Oleuroside,1TBDMS,isomer #6C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C14400.1Semi standard non polar33892256
Oleuroside,2TBDMS,isomer #1C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14516.1Semi standard non polar33892256
Oleuroside,2TBDMS,isomer #10C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14531.1Semi standard non polar33892256
Oleuroside,2TBDMS,isomer #11C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C14524.8Semi standard non polar33892256
Oleuroside,2TBDMS,isomer #12C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C14507.0Semi standard non polar33892256
Oleuroside,2TBDMS,isomer #13C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C14526.8Semi standard non polar33892256
Oleuroside,2TBDMS,isomer #14C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C14508.1Semi standard non polar33892256
Oleuroside,2TBDMS,isomer #15C=CC1C(OC2OC(CO)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C14529.4Semi standard non polar33892256
Oleuroside,2TBDMS,isomer #2C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14503.9Semi standard non polar33892256
Oleuroside,2TBDMS,isomer #3C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14528.5Semi standard non polar33892256
Oleuroside,2TBDMS,isomer #4C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C14500.0Semi standard non polar33892256
Oleuroside,2TBDMS,isomer #5C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C14479.6Semi standard non polar33892256
Oleuroside,2TBDMS,isomer #6C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14531.9Semi standard non polar33892256
Oleuroside,2TBDMS,isomer #7C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14532.0Semi standard non polar33892256
Oleuroside,2TBDMS,isomer #8C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C14539.6Semi standard non polar33892256
Oleuroside,2TBDMS,isomer #9C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C14524.4Semi standard non polar33892256
Oleuroside,3TBDMS,isomer #1C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14605.1Semi standard non polar33892256
Oleuroside,3TBDMS,isomer #10C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C14601.0Semi standard non polar33892256
Oleuroside,3TBDMS,isomer #11C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14617.9Semi standard non polar33892256
Oleuroside,3TBDMS,isomer #12C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C14662.4Semi standard non polar33892256
Oleuroside,3TBDMS,isomer #13C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C14636.9Semi standard non polar33892256
Oleuroside,3TBDMS,isomer #14C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C14649.5Semi standard non polar33892256
Oleuroside,3TBDMS,isomer #15C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C14625.0Semi standard non polar33892256
Oleuroside,3TBDMS,isomer #16C=CC1C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C14639.8Semi standard non polar33892256
Oleuroside,3TBDMS,isomer #17C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C14652.7Semi standard non polar33892256
Oleuroside,3TBDMS,isomer #18C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C14625.0Semi standard non polar33892256
Oleuroside,3TBDMS,isomer #19C=CC1C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C14632.5Semi standard non polar33892256
Oleuroside,3TBDMS,isomer #2C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14599.1Semi standard non polar33892256
Oleuroside,3TBDMS,isomer #20C=CC1C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C14629.5Semi standard non polar33892256
Oleuroside,3TBDMS,isomer #3C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C14624.8Semi standard non polar33892256
Oleuroside,3TBDMS,isomer #4C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C14594.5Semi standard non polar33892256
Oleuroside,3TBDMS,isomer #5C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O)=C14593.4Semi standard non polar33892256
Oleuroside,3TBDMS,isomer #6C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C14632.9Semi standard non polar33892256
Oleuroside,3TBDMS,isomer #7C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C14605.8Semi standard non polar33892256
Oleuroside,3TBDMS,isomer #8C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C14622.8Semi standard non polar33892256
Oleuroside,3TBDMS,isomer #9C=CC1C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC=C(C(=O)OC)C1CC(=O)OCCC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C14590.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (Non-derivatized) - 70eV, Positivesplash10-0bti-9704440000-d4aaf6109be0212fab922017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (2 TMS) - 70eV, Positivesplash10-02mi-6734079000-dbacf0980a039fa575ca2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Oleuroside GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-10-13Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oleuroside 10V, Negative-QTOFsplash10-002r-1529060000-23488716ab4983c0ea7b2016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oleuroside 20V, Negative-QTOFsplash10-024i-2739120000-80008397c324dc9c04042016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oleuroside 40V, Negative-QTOFsplash10-0006-7987010000-59161502c83022cba4b62016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oleuroside 10V, Negative-QTOFsplash10-01rg-1369120000-be1db0a7dcf466d0d7dd2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oleuroside 20V, Negative-QTOFsplash10-0zfr-3609220000-41ce168048d1b70d37752021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oleuroside 40V, Negative-QTOFsplash10-0l6r-4749010000-31fbb0939437f3cc69432021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oleuroside 10V, Positive-QTOFsplash10-0203-0849060000-4162d70e48597435673e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oleuroside 20V, Positive-QTOFsplash10-01p9-0924000000-fd87e333fe9524240fa02016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oleuroside 40V, Positive-QTOFsplash10-000i-2911000000-db9cdb08e6070d0000872016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oleuroside 10V, Positive-QTOFsplash10-03g3-0329020000-031ecb6c521f4825dd522021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oleuroside 20V, Positive-QTOFsplash10-0019-0905000000-c2eb33263eb9e975c9772021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Oleuroside 40V, Positive-QTOFsplash10-00ks-4912000000-5b81f88fc909354ae2082021-09-23Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB014024
KNApSAcK IDC00010789
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14136851
PDB IDNot Available
ChEBI ID168518
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1849371
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.