trans-Resveratrol-2-C-β-D-/4'-O-β-D-diglucuronide

Identification

PhytoHub ID
PHUB001530
Name
trans-Resveratrol-2-C-β-D-/4'-O-β-D-diglucuronide
Synonyms
Not Available
CAS Number
Not Available
Average Mass
580.495
Monoisotopic Mass
580.142820202
Chemical Formula
C26H28O15
IUPAC Name
Not Available
InChI Key
WCAPHBGQINUWGZ-DAFODLJHSA-N
InChI Identifier
InChI=1S/C26H28O15/c27-11-7-10(14(13(28)8-11)21-17(31)15(29)18(32)22(40-21)24(35)36)4-1-9-2-5-12(6-3-9)39-26-20(34)16(30)19(33)23(41-26)25(37)38/h1-8,15-23,26-34H,(H,35,36)(H,37,38)/b4-1+
SMILES
OC1C(OC2=CC=C(\C=C\C3=C(C4OC(C(O)C(O)C4O)C(O)=O)C(O)=CC(O)=C3)C=C2)OC(C(O)C1O)C(O)=O
Structure

Calculated Properties

Solubility (ALOGPS)
1.59e+00 g/l
LogS (ALOGPS)
-2.56
LogP (ALOGPS)
0.46
Hydrogen Acceptors
15
Hydrogen Donors
10
Rotatable Bond Count
7
Polar Surface Area
264.12999999999994
Refractivity
132.453
Polarizability
55.832046270815006
Formal Charge
0
Physiological Charge
-2
pKa (strongest basic)
-3.7319986496737405
pKa (strongest acidic)
2.9011097359917954
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Precursor Taxonomy

PrecursorFamilyClassSub-class
Piceid (trans-)PolyphenolsStilbenesNot AvailableShow Precursor

Spectra

No spectra information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Piceid (trans-) trans-Resveratrol-2-C-β-D-/4'-O-β-D-diglucuronidehumanplasma, urineC26H28O15580.142820202 Publications
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