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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-11 17:32:57 UTC
Update Date2022-09-22 18:35:09 UTC
HMDB IDHMDB0029833
Secondary Accession Numbers
  • HMDB29833
Metabolite Identification
Common NameCyclodopa glucoside
DescriptionCyclodopa glucoside belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Based on a literature review very few articles have been published on Cyclodopa glucoside.
Structure
Data?1582753472
Synonyms
ValueSource
6-Hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylateHMDB
Chemical FormulaC15H19NO9
Average Molecular Weight357.3127
Monoisotopic Molecular Weight357.105981211
IUPAC Name6-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acid
Traditional Name6-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indole-2-carboxylic acid
CAS Registry Number71242-23-4
SMILES
OCC1OC(OC2=C(O)C=C3NC(CC3=C2)C(O)=O)C(O)C(O)C1O
InChI Identifier
InChI=1S/C15H19NO9/c17-4-10-11(19)12(20)13(21)15(25-10)24-9-2-5-1-7(14(22)23)16-6(5)3-8(9)18/h2-3,7,10-13,15-21H,1,4H2,(H,22,23)
InChI KeyPXMFPPFHRQZIHO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentN-acyl-alpha amino acids
Alternative Parents
Substituents
  • N-acyl-alpha-amino acid
  • Cinnamic acid amide
  • Cinnamic acid or derivatives
  • Hydroxycinnamic acid or derivatives
  • Indolyl carboxylic acid derivative
  • 3-alkylindole
  • Indole
  • Indole or derivatives
  • Catechol
  • Styrene
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Benzenoid
  • Substituted pyrrole
  • Monocyclic benzene moiety
  • Pyrrole
  • Heteroaromatic compound
  • Secondary carboxylic acid amide
  • Carboxamide group
  • Azacycle
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carbonyl group
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic nitrogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point159.5 - 162.5 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility27.5 g/LALOGPS
logP-0.92ALOGPS
logP-2.9ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)2ChemAxon
pKa (Strongest Basic)4.54ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area168.94 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity81.5 m³·mol⁻¹ChemAxon
Polarizability33.63 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+182.97131661259
DarkChem[M-H]-179.45531661259
DeepCCS[M+H]+179.60930932474
DeepCCS[M-H]-177.25130932474
DeepCCS[M-2H]-211.53130932474
DeepCCS[M+Na]+186.8430932474
AllCCS[M+H]+182.232859911
AllCCS[M+H-H2O]+179.332859911
AllCCS[M+NH4]+184.832859911
AllCCS[M+Na]+185.532859911
AllCCS[M-H]-178.632859911
AllCCS[M+Na-2H]-178.432859911
AllCCS[M+HCOO]-178.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Cyclodopa glucosideOCC1OC(OC2=C(O)C=C3NC(CC3=C2)C(O)=O)C(O)C(O)C1O4477.1Standard polar33892256
Cyclodopa glucosideOCC1OC(OC2=C(O)C=C3NC(CC3=C2)C(O)=O)C(O)C(O)C1O3489.9Standard non polar33892256
Cyclodopa glucosideOCC1OC(OC2=C(O)C=C3NC(CC3=C2)C(O)=O)C(O)C(O)C1O3483.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Cyclodopa glucoside,1TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C(O)C(O)C1O3419.4Semi standard non polar33892256
Cyclodopa glucoside,1TMS,isomer #2C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O)CC(C(=O)O)N23433.9Semi standard non polar33892256
Cyclodopa glucoside,1TMS,isomer #3C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O)C3O)=C(O)C=C2N13363.7Semi standard non polar33892256
Cyclodopa glucoside,1TMS,isomer #4C[Si](C)(C)OC1C(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)OC(CO)C(O)C1O3384.6Semi standard non polar33892256
Cyclodopa glucoside,1TMS,isomer #5C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C1O3374.6Semi standard non polar33892256
Cyclodopa glucoside,1TMS,isomer #6C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C(O)C1O3383.4Semi standard non polar33892256
Cyclodopa glucoside,1TMS,isomer #7C[Si](C)(C)N1C2=CC(O)=C(OC3OC(CO)C(O)C(O)C3O)C=C2CC1C(=O)O3418.5Semi standard non polar33892256
Cyclodopa glucoside,2TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)NC(C(=O)O)C3)C(O)C(O)C1O3350.0Semi standard non polar33892256
Cyclodopa glucoside,2TMS,isomer #10C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C)C=C2N13322.1Semi standard non polar33892256
Cyclodopa glucoside,2TMS,isomer #11C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O)CC(C(=O)O)N2[Si](C)(C)C3369.9Semi standard non polar33892256
Cyclodopa glucoside,2TMS,isomer #12C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O)C=C2N13270.1Semi standard non polar33892256
Cyclodopa glucoside,2TMS,isomer #13C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O)C=C2N13277.6Semi standard non polar33892256
Cyclodopa glucoside,2TMS,isomer #14C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O)C=C2N13269.4Semi standard non polar33892256
Cyclodopa glucoside,2TMS,isomer #15C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O)C3O)=C(O)C=C2N1[Si](C)(C)C3277.9Semi standard non polar33892256
Cyclodopa glucoside,2TMS,isomer #16C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C(O[Si](C)(C)C)C1O3294.9Semi standard non polar33892256
Cyclodopa glucoside,2TMS,isomer #17C[Si](C)(C)OC1C(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)OC(CO)C(O)C1O[Si](C)(C)C3315.1Semi standard non polar33892256
Cyclodopa glucoside,2TMS,isomer #18C[Si](C)(C)OC1C(OC2=CC3=C(C=C2O)N([Si](C)(C)C)C(C(=O)O)C3)OC(CO)C(O)C1O3359.0Semi standard non polar33892256
Cyclodopa glucoside,2TMS,isomer #19C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C(O)C1O[Si](C)(C)C3299.7Semi standard non polar33892256
Cyclodopa glucoside,2TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O[Si](C)(C)C)C3)C(O)C(O)C1O3287.0Semi standard non polar33892256
Cyclodopa glucoside,2TMS,isomer #20C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C)C(C(=O)O)C3)C1O3337.4Semi standard non polar33892256
Cyclodopa glucoside,2TMS,isomer #21C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C)C(C(=O)O)C3)C(O)C1O3357.0Semi standard non polar33892256
Cyclodopa glucoside,2TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C(O[Si](C)(C)C)C(O)C1O3329.4Semi standard non polar33892256
Cyclodopa glucoside,2TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C(O)C(O[Si](C)(C)C)C1O3319.3Semi standard non polar33892256
Cyclodopa glucoside,2TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C(O)C(O)C1O[Si](C)(C)C3330.0Semi standard non polar33892256
Cyclodopa glucoside,2TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C)C(C(=O)O)C3)C(O)C(O)C1O3339.6Semi standard non polar33892256
Cyclodopa glucoside,2TMS,isomer #7C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)CC(C(=O)O)N23336.3Semi standard non polar33892256
Cyclodopa glucoside,2TMS,isomer #8C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)CC(C(=O)O)N23335.2Semi standard non polar33892256
Cyclodopa glucoside,2TMS,isomer #9C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)CC(C(=O)O)N23343.6Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)NC(C(=O)O[Si](C)(C)C)C3)C(O)C(O)C1O3285.8Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3307.9Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3315.2Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C)C(C(=O)O)C3)C(O[Si](C)(C)C)C(O)C1O3314.8Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3299.4Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C)C(C(=O)O)C3)C(O)C(O[Si](C)(C)C)C1O3290.7Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C)C(C(=O)O)C3)C(O)C(O)C1O[Si](C)(C)C3299.9Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #16C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)CC(C(=O)O)N23300.5Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #17C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)CC(C(=O)O)N23311.3Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #18C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C=C2N13281.6Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #19C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)CC(C(=O)O)N2[Si](C)(C)C3320.9Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)NC(C(=O)O)C3)C(O[Si](C)(C)C)C(O)C1O3329.8Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #20C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC(C(=O)O)N23329.1Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #21C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C=C2N13272.1Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #22C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)CC(C(=O)O)N2[Si](C)(C)C3301.2Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #23C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2N13280.3Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #24C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)CC(C(=O)O)N2[Si](C)(C)C3331.6Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #25C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C)C=C2N1[Si](C)(C)C3244.8Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #26C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C=C2N13222.2Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #27C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C=C2N13233.5Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #28C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O)C=C2N1[Si](C)(C)C3222.8Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #29C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C=C2N13250.1Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)NC(C(=O)O)C3)C(O)C(O[Si](C)(C)C)C1O3316.0Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #30C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O)C=C2N1[Si](C)(C)C3216.3Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #31C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O)C=C2N1[Si](C)(C)C3220.9Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #32C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C(O[Si](C)(C)C)C1O[Si](C)(C)C3299.1Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #33C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C)C(C(=O)O)C3)C(O[Si](C)(C)C)C1O3304.1Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #34C[Si](C)(C)OC1C(OC2=CC3=C(C=C2O)N([Si](C)(C)C)C(C(=O)O)C3)OC(CO)C(O)C1O[Si](C)(C)C3332.6Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #35C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C)C(C(=O)O)C3)C(O)C1O[Si](C)(C)C3299.3Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)NC(C(=O)O)C3)C(O)C(O)C1O[Si](C)(C)C3330.6Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)C3)C(O)C(O)C1O3296.3Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O[Si](C)(C)C)C3)C(O[Si](C)(C)C)C(O)C1O3235.4Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O[Si](C)(C)C)C3)C(O)C(O[Si](C)(C)C)C1O3228.4Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O[Si](C)(C)C)C3)C(O)C(O)C1O[Si](C)(C)C3241.0Semi standard non polar33892256
Cyclodopa glucoside,3TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C3)C(O)C(O)C1O3206.5Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)NC(C(=O)O[Si](C)(C)C)C3)C(O[Si](C)(C)C)C(O)C1O3230.3Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)C3)C(O)C(O)C1O[Si](C)(C)C3247.1Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O[Si](C)(C)C)C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3197.7Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O[Si](C)(C)C)C3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3228.2Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C3)C(O[Si](C)(C)C)C(O)C1O3153.8Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O[Si](C)(C)C)C3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3189.0Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C3)C(O)C(O[Si](C)(C)C)C1O3141.6Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #16C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C3)C(O)C(O)C1O[Si](C)(C)C3144.9Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #17C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3308.6Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #18C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C)C(C(=O)O)C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3268.2Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #19C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C)C(C(=O)O)C3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3284.7Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)NC(C(=O)O[Si](C)(C)C)C3)C(O)C(O[Si](C)(C)C)C1O3201.5Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #20C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C)C(C(=O)O)C3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3255.2Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #21C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC(C(=O)O)N23282.4Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #22C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C=C2N13201.9Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #23C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)CC(C(=O)O)N2[Si](C)(C)C3259.5Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #24C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2N13221.6Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #25C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)CC(C(=O)O)N2[Si](C)(C)C3272.8Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #26C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(O[Si](C)(C)C)C=C2N1[Si](C)(C)C3172.9Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #27C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2N13221.0Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #28C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC(C(=O)O)N2[Si](C)(C)C3285.0Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #29C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C=C2N1[Si](C)(C)C3161.1Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)NC(C(=O)O[Si](C)(C)C)C3)C(O)C(O)C1O[Si](C)(C)C3223.1Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #30C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2N1[Si](C)(C)C3169.5Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #31C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C=C2N13188.1Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #32C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O)C=C2N1[Si](C)(C)C3144.0Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #33C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O)C=C2N1[Si](C)(C)C3160.0Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #34C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C=C2N1[Si](C)(C)C3169.2Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #35C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C)C(C(=O)O)C3)C(O[Si](C)(C)C)C1O[Si](C)(C)C3280.7Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C3)C(O)C(O)C1O3147.6Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)NC(C(=O)O)C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3289.9Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)NC(C(=O)O)C3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3310.4Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)C3)C(O[Si](C)(C)C)C(O)C1O3261.5Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)NC(C(=O)O)C3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3278.2Semi standard non polar33892256
Cyclodopa glucoside,4TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)C3)C(O)C(O[Si](C)(C)C)C1O3234.2Semi standard non polar33892256
Cyclodopa glucoside,5TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)NC(C(=O)O[Si](C)(C)C)C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3195.6Semi standard non polar33892256
Cyclodopa glucoside,5TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)C3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3234.9Semi standard non polar33892256
Cyclodopa glucoside,5TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O[Si](C)(C)C)C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3178.1Semi standard non polar33892256
Cyclodopa glucoside,5TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3139.4Semi standard non polar33892256
Cyclodopa glucoside,5TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3161.3Semi standard non polar33892256
Cyclodopa glucoside,5TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3137.0Semi standard non polar33892256
Cyclodopa glucoside,5TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C)C(C(=O)O)C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3274.1Semi standard non polar33892256
Cyclodopa glucoside,5TMS,isomer #16C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2N13158.2Semi standard non polar33892256
Cyclodopa glucoside,5TMS,isomer #17C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC(C(=O)O)N2[Si](C)(C)C3247.3Semi standard non polar33892256
Cyclodopa glucoside,5TMS,isomer #18C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(O[Si](C)(C)C)C=C2N1[Si](C)(C)C3112.1Semi standard non polar33892256
Cyclodopa glucoside,5TMS,isomer #19C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2N1[Si](C)(C)C3130.9Semi standard non polar33892256
Cyclodopa glucoside,5TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)NC(C(=O)O[Si](C)(C)C)C3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3219.6Semi standard non polar33892256
Cyclodopa glucoside,5TMS,isomer #20C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2N1[Si](C)(C)C3123.3Semi standard non polar33892256
Cyclodopa glucoside,5TMS,isomer #21C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O)C=C2N1[Si](C)(C)C3122.7Semi standard non polar33892256
Cyclodopa glucoside,5TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C3)C(O[Si](C)(C)C)C(O)C1O3122.0Semi standard non polar33892256
Cyclodopa glucoside,5TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)NC(C(=O)O[Si](C)(C)C)C3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3191.9Semi standard non polar33892256
Cyclodopa glucoside,5TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C3)C(O)C(O[Si](C)(C)C)C1O3111.1Semi standard non polar33892256
Cyclodopa glucoside,5TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C3)C(O)C(O)C1O[Si](C)(C)C3121.7Semi standard non polar33892256
Cyclodopa glucoside,5TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)NC(C(=O)O)C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3288.8Semi standard non polar33892256
Cyclodopa glucoside,5TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3241.3Semi standard non polar33892256
Cyclodopa glucoside,5TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)C3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3256.8Semi standard non polar33892256
Cyclodopa glucoside,6TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)NC(C(=O)O[Si](C)(C)C)C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3199.3Semi standard non polar33892256
Cyclodopa glucoside,6TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O3135.4Semi standard non polar33892256
Cyclodopa glucoside,6TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C3159.9Semi standard non polar33892256
Cyclodopa glucoside,6TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C3144.4Semi standard non polar33892256
Cyclodopa glucoside,6TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3260.2Semi standard non polar33892256
Cyclodopa glucoside,6TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3150.7Semi standard non polar33892256
Cyclodopa glucoside,6TMS,isomer #7C[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(O[Si](C)(C)C)C=C2N1[Si](C)(C)C3111.2Semi standard non polar33892256
Cyclodopa glucoside,7TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3164.3Semi standard non polar33892256
Cyclodopa glucoside,7TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C3193.6Standard non polar33892256
Cyclodopa glucoside,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C(O)C(O)C1O3677.5Semi standard non polar33892256
Cyclodopa glucoside,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O)CC(C(=O)O)N23708.8Semi standard non polar33892256
Cyclodopa glucoside,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O)C3O)=C(O)C=C2N13659.6Semi standard non polar33892256
Cyclodopa glucoside,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1C(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)OC(CO)C(O)C1O3687.3Semi standard non polar33892256
Cyclodopa glucoside,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C1O3688.2Semi standard non polar33892256
Cyclodopa glucoside,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C(O)C1O3691.3Semi standard non polar33892256
Cyclodopa glucoside,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)N1C2=CC(O)=C(OC3OC(CO)C(O)C(O)C3O)C=C2CC1C(=O)O3722.0Semi standard non polar33892256
Cyclodopa glucoside,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)NC(C(=O)O)C3)C(O)C(O)C1O3816.8Semi standard non polar33892256
Cyclodopa glucoside,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C=C2N13814.6Semi standard non polar33892256
Cyclodopa glucoside,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O)CC(C(=O)O)N2[Si](C)(C)C(C)(C)C3877.9Semi standard non polar33892256
Cyclodopa glucoside,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C=C2N13796.8Semi standard non polar33892256
Cyclodopa glucoside,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C=C2N13787.3Semi standard non polar33892256
Cyclodopa glucoside,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C=C2N13790.5Semi standard non polar33892256
Cyclodopa glucoside,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O)C3O)=C(O)C=C2N1[Si](C)(C)C(C)(C)C3797.6Semi standard non polar33892256
Cyclodopa glucoside,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C(O[Si](C)(C)C(C)(C)C)C1O3832.0Semi standard non polar33892256
Cyclodopa glucoside,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1C(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C3857.1Semi standard non polar33892256
Cyclodopa glucoside,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1C(OC2=CC3=C(C=C2O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C3)OC(CO)C(O)C1O3870.2Semi standard non polar33892256
Cyclodopa glucoside,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C(O)C1O[Si](C)(C)C(C)(C)C3829.9Semi standard non polar33892256
Cyclodopa glucoside,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O[Si](C)(C)C(C)(C)C)C3)C(O)C(O)C1O3765.6Semi standard non polar33892256
Cyclodopa glucoside,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C3)C1O3863.8Semi standard non polar33892256
Cyclodopa glucoside,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C3)C(O)C1O3872.8Semi standard non polar33892256
Cyclodopa glucoside,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3812.9Semi standard non polar33892256
Cyclodopa glucoside,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3841.7Semi standard non polar33892256
Cyclodopa glucoside,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3816.9Semi standard non polar33892256
Cyclodopa glucoside,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C3)C(O)C(O)C1O3843.4Semi standard non polar33892256
Cyclodopa glucoside,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)CC(C(=O)O)N23846.4Semi standard non polar33892256
Cyclodopa glucoside,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)CC(C(=O)O)N23856.2Semi standard non polar33892256
Cyclodopa glucoside,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)CC(C(=O)O)N23837.0Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)NC(C(=O)O[Si](C)(C)C(C)(C)C)C3)C(O)C(O)C1O3912.6Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O3978.6Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C3990.5Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3963.0Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3974.0Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3970.6Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C3)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3961.7Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)CC(C(=O)O)N23948.9Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)CC(C(=O)O)N23958.2Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C=C2N13934.8Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)CC(C(=O)O)N2[Si](C)(C)C(C)(C)C3994.7Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)NC(C(=O)O)C3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3957.1Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)CC(C(=O)O)N23979.1Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O[Si](C)(C)C(C)(C)C)C=C2N13932.3Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)CC(C(=O)O)N2[Si](C)(C)C(C)(C)C3999.7Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C2N13926.6Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)CC(C(=O)O)N2[Si](C)(C)C(C)(C)C3994.1Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C=C2N1[Si](C)(C)C(C)(C)C3939.7Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C=C2N13911.3Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C=C2N13921.3Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O)C=C2N1[Si](C)(C)C(C)(C)C3904.3Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C(O)C=C2N13931.4Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)NC(C(=O)O)C3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3968.3Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C=C2N1[Si](C)(C)C(C)(C)C3914.0Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C=C2N1[Si](C)(C)C(C)(C)C3902.5Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C3957.2Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C3)C(O[Si](C)(C)C(C)(C)C)C1O3969.6Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1C(OC2=CC3=C(C=C2O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C3)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C3989.5Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C3)C(O)C1O[Si](C)(C)C(C)(C)C3970.0Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)NC(C(=O)O)C3)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3957.5Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C3)C(O)C(O)C1O3973.0Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O[Si](C)(C)C(C)(C)C)C3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O3901.0Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O[Si](C)(C)C(C)(C)C)C3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O3910.9Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O[Si](C)(C)C(C)(C)C)C3)C(O)C(O)C1O[Si](C)(C)C(C)(C)C3910.2Semi standard non polar33892256
Cyclodopa glucoside,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)C3)C(O)C(O)C1O3893.6Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)NC(C(=O)O[Si](C)(C)C(C)(C)C)C3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4055.7Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C3)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4108.7Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O[Si](C)(C)C(C)(C)C)C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4077.6Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O[Si](C)(C)C(C)(C)C)C3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4115.4Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)C3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4022.3Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O[Si](C)(C)C(C)(C)C)C3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4079.5Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)C3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4053.6Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)C3)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4034.0Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)NC(C(=O)O)C3)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)C4165.6Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4117.8Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #19CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4142.5Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)NC(C(=O)O[Si](C)(C)C(C)(C)C)C3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4078.7Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #20CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4118.7Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(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)C)CC(C(=O)O)N24105.6Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O[Si](C)(C)C(C)(C)C)C=C2N14070.5Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)CC(C(=O)O)N2[Si](C)(C)C(C)(C)C4118.0Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C2N14068.6Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)CC(C(=O)O)N2[Si](C)(C)C(C)(C)C4122.1Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(O[Si](C)(C)C(C)(C)C)C=C2N1[Si](C)(C)C(C)(C)C4037.9Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C2N14079.3Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)CC(C(=O)O)N2[Si](C)(C)C(C)(C)C4137.2Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O[Si](C)(C)C(C)(C)C)C=C2N1[Si](C)(C)C(C)(C)C4066.6Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)NC(C(=O)O[Si](C)(C)C(C)(C)C)C3)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4064.4Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C=C2N1[Si](C)(C)C(C)(C)C4030.0Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C(O)C=C2N14061.3Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C(O)C=C2N1[Si](C)(C)C(C)(C)C4040.0Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C(O)C=C2N1[Si](C)(C)C(C)(C)C4037.0Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC(=O)C1CC2=CC(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C(O)C=C2N1[Si](C)(C)C(C)(C)C4048.2Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C3)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4100.9Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)C3)C(O)C(O)C1O4017.8Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)NC(C(=O)O)C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O4137.9Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)NC(C(=O)O)C3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C4155.3Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O4103.4Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)NC(C(=O)O)C3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4135.6Semi standard non polar33892256
Cyclodopa glucoside,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4123.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Cyclodopa glucoside GC-MS (Non-derivatized) - 70eV, Positivesplash10-0w2l-5935000000-152122229750e97cb3d32017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclodopa glucoside GC-MS (4 TMS) - 70eV, Positivesplash10-001i-3842039000-0bf60dbd185cff1700c62017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclodopa glucoside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cyclodopa glucoside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyclodopa glucoside 10V, Positive-QTOFsplash10-052b-0905000000-51181133758b9229844a2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyclodopa glucoside 20V, Positive-QTOFsplash10-0002-0900000000-7d4703342cabb35b9fc32016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyclodopa glucoside 40V, Positive-QTOFsplash10-006t-1900000000-a041740d18a7b6ccc8b22016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyclodopa glucoside 10V, Negative-QTOFsplash10-0a4l-1819000000-1ff9daad22edad910cf42016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyclodopa glucoside 20V, Negative-QTOFsplash10-0006-1912000000-ea8f58b0dd79ac1dda1b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyclodopa glucoside 40V, Negative-QTOFsplash10-0007-3900000000-3e520f18aa69bcf36e132016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyclodopa glucoside 10V, Positive-QTOFsplash10-0a4i-0209000000-e0e0e6ece40f2c6f10302021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyclodopa glucoside 20V, Positive-QTOFsplash10-054n-1935000000-dda7b9003b2757d085892021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyclodopa glucoside 40V, Positive-QTOFsplash10-0f8a-3920000000-192e167bca0865b33fb02021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyclodopa glucoside 10V, Negative-QTOFsplash10-0a4i-0009000000-6ae89e9b9748b68985a62021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyclodopa glucoside 20V, Negative-QTOFsplash10-052f-1924000000-3c64c995008cf9929dcd2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cyclodopa glucoside 40V, Negative-QTOFsplash10-002g-1900000000-7e35b7ba8be43e4a71352021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedAdult (>18 years old)BothAsthma details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothAsthma details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB001048
KNApSAcK IDC00053126
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound74413859
PDB IDNot Available
ChEBI IDNot Available
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. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .