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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 02:10:27 UTC
Update Date2022-03-07 02:56:39 UTC
HMDB IDHMDB0040614
Secondary Accession Numbers
  • HMDB40614
Metabolite Identification
Common NameDihydroroseoside
DescriptionDihydroroseoside belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Based on a literature review a small amount of articles have been published on Dihydroroseoside.
Structure
Data?1563863568
SynonymsNot Available
Chemical FormulaC19H32O8
Average Molecular Weight388.4526
Monoisotopic Molecular Weight388.209718
IUPAC Name4-hydroxy-3,3,5-trimethyl-4-[(1E)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohexan-1-one
Traditional Name4-hydroxy-3,3,5-trimethyl-4-[(1E)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-1-en-1-yl]cyclohexan-1-one
CAS Registry Number142235-28-7
SMILES
CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)CC(=O)CC1(C)C
InChI Identifier
InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+
InChI KeyQFTPTUOKFIIFJH-AATRIKPKSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acyl glycosides
Direct ParentFatty acyl glycosides of mono- and disaccharides
Alternative Parents
Substituents
  • Fatty acyl glycoside of mono- or disaccharide
  • Cyclofarsesane sesquiterpenoid
  • Megastigmane sesquiterpenoid
  • Sesquiterpenoid
  • Ionone derivative
  • Alkyl glycoside
  • Hexose monosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Monosaccharide
  • Oxane
  • Cyclic alcohol
  • Tertiary alcohol
  • Cyclic ketone
  • Ketone
  • Secondary alcohol
  • Polyol
  • Organoheterocyclic compound
  • Oxacycle
  • Acetal
  • Alcohol
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organic oxygen compound
  • Primary alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Process
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility4.49 g/LALOGPS
logP-0.18ALOGPS
logP-0.38ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)12.2ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area136.68 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity96.59 m³·mol⁻¹ChemAxon
Polarizability40.9 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+190.5331661259
DarkChem[M-H]-186.98731661259
DeepCCS[M+H]+198.52430932474
DeepCCS[M-H]-196.16630932474
DeepCCS[M-2H]-230.25330932474
DeepCCS[M+Na]+205.48130932474
AllCCS[M+H]+196.132859911
AllCCS[M+H-H2O]+193.632859911
AllCCS[M+NH4]+198.432859911
AllCCS[M+Na]+199.032859911
AllCCS[M-H]-192.632859911
AllCCS[M+Na-2H]-193.532859911
AllCCS[M+HCOO]-194.732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
DihydroroseosideCC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)CC(=O)CC1(C)C3461.4Standard polar33892256
DihydroroseosideCC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)CC(=O)CC1(C)C2844.6Standard non polar33892256
DihydroroseosideCC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)CC(=O)CC1(C)C3089.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Dihydroroseoside,1TMS,isomer #1CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O3049.1Semi standard non polar33892256
Dihydroroseoside,1TMS,isomer #2CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O3047.7Semi standard non polar33892256
Dihydroroseoside,1TMS,isomer #3CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O3039.9Semi standard non polar33892256
Dihydroroseoside,1TMS,isomer #4CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C3036.8Semi standard non polar33892256
Dihydroroseoside,1TMS,isomer #5CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O3098.9Semi standard non polar33892256
Dihydroroseoside,1TMS,isomer #6CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO)C(O)C(O)C1O3052.6Semi standard non polar33892256
Dihydroroseoside,1TMS,isomer #7CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO)C(O)C(O)C1O3076.1Semi standard non polar33892256
Dihydroroseoside,2TMS,isomer #1CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O3040.9Semi standard non polar33892256
Dihydroroseoside,2TMS,isomer #10CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O2970.6Semi standard non polar33892256
Dihydroroseoside,2TMS,isomer #11CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O3007.7Semi standard non polar33892256
Dihydroroseoside,2TMS,isomer #12CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O3031.3Semi standard non polar33892256
Dihydroroseoside,2TMS,isomer #13CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3008.6Semi standard non polar33892256
Dihydroroseoside,2TMS,isomer #14CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O2949.4Semi standard non polar33892256
Dihydroroseoside,2TMS,isomer #15CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O2988.5Semi standard non polar33892256
Dihydroroseoside,2TMS,isomer #16CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C3029.9Semi standard non polar33892256
Dihydroroseoside,2TMS,isomer #17CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C2951.2Semi standard non polar33892256
Dihydroroseoside,2TMS,isomer #18CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C2985.1Semi standard non polar33892256
Dihydroroseoside,2TMS,isomer #19CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO)C(O)C(O)C1O3040.7Semi standard non polar33892256
Dihydroroseoside,2TMS,isomer #2CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O3005.0Semi standard non polar33892256
Dihydroroseoside,2TMS,isomer #20CC(/C=C/C1(O[Si](C)(C)C)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO)C(O)C(O)C1O3057.4Semi standard non polar33892256
Dihydroroseoside,2TMS,isomer #3CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O2993.7Semi standard non polar33892256
Dihydroroseoside,2TMS,isomer #4CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C2996.6Semi standard non polar33892256
Dihydroroseoside,2TMS,isomer #5CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O2957.9Semi standard non polar33892256
Dihydroroseoside,2TMS,isomer #6CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O2990.3Semi standard non polar33892256
Dihydroroseoside,2TMS,isomer #7CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O3042.6Semi standard non polar33892256
Dihydroroseoside,2TMS,isomer #8CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3003.3Semi standard non polar33892256
Dihydroroseoside,2TMS,isomer #9CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2995.3Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #1CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O2971.8Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #10CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2929.7Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #11CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O2852.9Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #12CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O2900.3Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #13CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C2871.0Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #14CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C2913.8Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #15CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2972.2Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #16CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2974.2Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #17CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O2956.7Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #18CC(/C=C/C1(O[Si](C)(C)C)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O2979.7Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #19CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2937.5Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #2CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O2962.5Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #20CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2872.1Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #21CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2917.4Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #22CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2874.7Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #23CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2915.0Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #24CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2971.6Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #25CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O2913.2Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #26CC(/C=C/C1(O[Si](C)(C)C)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O2958.2Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #27CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2868.5Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #28CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2910.1Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #29CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C2938.0Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #3CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C2963.0Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #30CC(/C=C/C1(O[Si](C)(C)C)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C2960.1Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #4CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O2925.3Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #5CC(/C=C/C1(O[Si](C)(C)C)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O2953.9Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #6CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2939.3Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #7CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2931.8Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #8CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O2877.2Semi standard non polar33892256
Dihydroroseoside,3TMS,isomer #9CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O2921.4Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #1CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2919.5Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #10CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2887.4Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #11CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2820.7Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #12CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2882.2Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #13CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2821.2Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #14CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2879.0Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #15CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2804.9Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #16CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2862.0Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #17CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2899.1Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #18CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2845.7Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #19CC(/C=C/C1(O[Si](C)(C)C)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2896.8Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #2CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2912.2Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #20CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2860.8Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #21CC(/C=C/C1(O[Si](C)(C)C)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2909.7Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #22CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2806.6Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #23CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2865.1Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #24CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2827.1Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #25CC(/C=C/C1(O[Si](C)(C)C)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2874.9Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #3CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O2863.6Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #4CC(/C=C/C1(O[Si](C)(C)C)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O2915.0Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #5CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2896.9Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #6CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O2829.6Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #7CC(/C=C/C1(O[Si](C)(C)C)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O2881.5Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #8CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C2844.1Semi standard non polar33892256
Dihydroroseoside,4TMS,isomer #9CC(/C=C/C1(O[Si](C)(C)C)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C2893.5Semi standard non polar33892256
Dihydroroseoside,5TMS,isomer #1CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2846.7Semi standard non polar33892256
Dihydroroseoside,5TMS,isomer #10CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2784.4Semi standard non polar33892256
Dihydroroseoside,5TMS,isomer #11CC(/C=C/C1(O[Si](C)(C)C)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2826.9Semi standard non polar33892256
Dihydroroseoside,5TMS,isomer #2CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2811.2Semi standard non polar33892256
Dihydroroseoside,5TMS,isomer #3CC(/C=C/C1(O[Si](C)(C)C)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O2854.2Semi standard non polar33892256
Dihydroroseoside,5TMS,isomer #4CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2800.3Semi standard non polar33892256
Dihydroroseoside,5TMS,isomer #5CC(/C=C/C1(O[Si](C)(C)C)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C2848.5Semi standard non polar33892256
Dihydroroseoside,5TMS,isomer #6CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2783.5Semi standard non polar33892256
Dihydroroseoside,5TMS,isomer #7CC(/C=C/C1(O[Si](C)(C)C)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C2825.9Semi standard non polar33892256
Dihydroroseoside,5TMS,isomer #8CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2758.0Semi standard non polar33892256
Dihydroroseoside,5TMS,isomer #9CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2829.3Semi standard non polar33892256
Dihydroroseoside,6TMS,isomer #1CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2762.7Semi standard non polar33892256
Dihydroroseoside,6TMS,isomer #1CC(/C=C/C1(O[Si](C)(C)C)C(C)CC(O[Si](C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3073.0Standard non polar33892256
Dihydroroseoside,6TMS,isomer #2CC(/C=C/C1(O[Si](C)(C)C)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C2784.4Semi standard non polar33892256
Dihydroroseoside,6TMS,isomer #2CC(/C=C/C1(O[Si](C)(C)C)C(C)C=C(O[Si](C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3080.8Standard non polar33892256
Dihydroroseoside,1TBDMS,isomer #1CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3287.0Semi standard non polar33892256
Dihydroroseoside,1TBDMS,isomer #2CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3292.6Semi standard non polar33892256
Dihydroroseoside,1TBDMS,isomer #3CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3280.7Semi standard non polar33892256
Dihydroroseoside,1TBDMS,isomer #4CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3281.6Semi standard non polar33892256
Dihydroroseoside,1TBDMS,isomer #5CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O3350.6Semi standard non polar33892256
Dihydroroseoside,1TBDMS,isomer #6CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO)C(O)C(O)C1O3291.4Semi standard non polar33892256
Dihydroroseoside,1TBDMS,isomer #7CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO)C(O)C(O)C1O3320.7Semi standard non polar33892256
Dihydroroseoside,2TBDMS,isomer #1CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3499.4Semi standard non polar33892256
Dihydroroseoside,2TBDMS,isomer #10CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3424.6Semi standard non polar33892256
Dihydroroseoside,2TBDMS,isomer #11CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3477.6Semi standard non polar33892256
Dihydroroseoside,2TBDMS,isomer #12CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3500.8Semi standard non polar33892256
Dihydroroseoside,2TBDMS,isomer #13CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3465.7Semi standard non polar33892256
Dihydroroseoside,2TBDMS,isomer #14CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3411.6Semi standard non polar33892256
Dihydroroseoside,2TBDMS,isomer #15CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3462.7Semi standard non polar33892256
Dihydroroseoside,2TBDMS,isomer #16CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3501.3Semi standard non polar33892256
Dihydroroseoside,2TBDMS,isomer #17CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3413.1Semi standard non polar33892256
Dihydroroseoside,2TBDMS,isomer #18CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3462.7Semi standard non polar33892256
Dihydroroseoside,2TBDMS,isomer #19CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO)C(O)C(O)C1O3513.3Semi standard non polar33892256
Dihydroroseoside,2TBDMS,isomer #2CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3461.8Semi standard non polar33892256
Dihydroroseoside,2TBDMS,isomer #20CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO)C(O)C(O)C1O3546.1Semi standard non polar33892256
Dihydroroseoside,2TBDMS,isomer #3CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3449.1Semi standard non polar33892256
Dihydroroseoside,2TBDMS,isomer #4CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3455.0Semi standard non polar33892256
Dihydroroseoside,2TBDMS,isomer #5CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3415.1Semi standard non polar33892256
Dihydroroseoside,2TBDMS,isomer #6CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3461.8Semi standard non polar33892256
Dihydroroseoside,2TBDMS,isomer #7CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3518.4Semi standard non polar33892256
Dihydroroseoside,2TBDMS,isomer #8CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3461.0Semi standard non polar33892256
Dihydroroseoside,2TBDMS,isomer #9CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3459.2Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #1CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3663.7Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #10CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3624.3Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #11CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3538.0Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #12CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3579.5Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #13CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3529.5Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #14CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3579.1Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #15CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3670.4Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #16CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3669.7Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #17CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3640.2Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #18CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3669.0Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #19CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3621.5Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #2CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3659.9Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #20CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3542.9Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #21CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3588.1Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #22CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3533.3Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #23CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3583.2Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #24CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3665.9Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #25CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3633.3Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #26CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3669.7Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #27CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3535.4Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #28CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3583.1Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #29CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3622.2Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #3CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3650.9Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #30CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3658.6Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #4CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3612.6Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #5CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O3642.9Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #6CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(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)C1O3629.4Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #7CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3625.4Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #8CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3547.4Semi standard non polar33892256
Dihydroroseoside,3TBDMS,isomer #9CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3592.5Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #1CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(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)C1O3820.5Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #10CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(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)C1O[Si](C)(C)C(C)(C)C3786.5Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #11CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(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)C1O3653.0Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #12CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(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)C1O3710.1Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #13CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3638.2Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #14CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3698.8Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #15CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3645.1Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #16CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3701.1Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #17CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3821.9Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #18CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3719.5Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #19CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3773.7Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #2CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3813.4Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #20CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3713.7Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #21CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3765.3Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #22CC(/C=C/C1(O)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3626.1Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #23CC(/C=C/C1(O)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3685.9Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #24CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3718.2Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #25CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3770.3Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #3CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3722.5Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #4CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3772.8Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #5CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(=O)CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3809.2Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #6CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3730.9Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #7CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3775.4Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #8CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)CC(O[Si](C)(C)C(C)(C)C)=CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3704.5Semi standard non polar33892256
Dihydroroseoside,4TBDMS,isomer #9CC(/C=C/C1(O[Si](C)(C)C(C)(C)C)C(C)C=C(O[Si](C)(C)C(C)(C)C)CC1(C)C)OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3759.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Dihydroroseoside GC-MS (Non-derivatized) - 70eV, Positivesplash10-05fr-9405000000-b7f9c7f876330981f9c82017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Dihydroroseoside GC-MS (4 TMS) - 70eV, Positivesplash10-03di-2362029000-80fa54e85ad2b522dffc2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Dihydroroseoside GC-MS (TBDMS_3_24) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Dihydroroseoside GC-MS (TBDMS_4_5) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Dihydroroseoside GC-MS (TBDMS_4_17) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Dihydroroseoside GC-MS (TBDMS_4_24) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Dihydroroseoside GC-MS (TBDMS_4_25) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Dihydroroseoside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Dihydroroseoside GC-MS ("Dihydroroseoside,3TBDMS,#24" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Dihydroroseoside , positive-QTOFsplash10-0r0u-1910000000-7ba079572e7be0819be82017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroroseoside 10V, Positive-QTOFsplash10-0adr-1298000000-2e15347c04ab61bcc3612017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroroseoside 20V, Positive-QTOFsplash10-0a4i-3491000000-835d3287edd0876713192017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroroseoside 40V, Positive-QTOFsplash10-0a4i-9550000000-b76c3e6141080278e9aa2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroroseoside 10V, Negative-QTOFsplash10-0550-1279000000-51ba5a23275c90d888e62017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroroseoside 20V, Negative-QTOFsplash10-056r-2392000000-d2e9c0c1420153ae12db2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroroseoside 40V, Negative-QTOFsplash10-0a6r-7490000000-08c9f8373736edfe22d52017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroroseoside 10V, Negative-QTOFsplash10-000i-0139000000-5d0e2d7b7b9f808e9b712021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroroseoside 20V, Negative-QTOFsplash10-0a70-9755000000-f7beecd7ab5619f983f22021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroroseoside 40V, Negative-QTOFsplash10-0a4i-9370000000-ea110eed9b12eee745da2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroroseoside 10V, Positive-QTOFsplash10-0596-0679000000-7700f3136f1d3e57c3552021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroroseoside 20V, Positive-QTOFsplash10-0a4l-2984000000-2a3a61d5ca92aeda1d0a2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Dihydroroseoside 40V, Positive-QTOFsplash10-0a4l-9380000000-8ccb6ee331e0504b40042021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
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 IDFDB020405
KNApSAcK IDC00058461
Chemspider ID17325508
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound16196969
PDB IDNot Available
ChEBI ID167775
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
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.