Identification

PhytoHub ID
PHUB000329
Name
Viniferin 3',5'-diglucoside (Epsilon-)
Synonyms
Not Available
CAS Number
Not Available
Average Mass
778.76
Monoisotopic Mass
778.247285272
Chemical Formula
C40H42O16
IUPAC Name
2-{3-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
InChI Key
RPVPDEHWWUFGBW-DAFODLJHSA-N
InChI Identifier
InChI=1S/C40H42O16/c41-16-28-32(46)34(48)36(50)39(55-28)52-25-12-21(13-26(15-25)53-40-37(51)35(49)33(47)29(17-42)56-40)31-30-20(4-1-18-2-7-22(43)8-3-18)11-24(45)14-27(30)54-38(31)19-5-9-23(44)10-6-19/h1-15,28-29,31-51H,16-17H2/b4-1+
SMILES
OCC1OC(OC2=CC(=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C2C(OC3=CC(O)=CC(\C=C\C4=CC=C(O)C=C4)=C23)C2=CC=C(O)C=C2)C(O)C(O)C1O
Structure

Calculated Properties

Solubility (ALOGPS)
1.51e-01 g/l
LogS (ALOGPS)
-3.71
LogP (ALOGPS)
1.76
Hydrogen Acceptors
16
Hydrogen Donors
11
Rotatable Bond Count
10
Polar Surface Area
268.67999999999995
Refractivity
194.32830000000007
Polarizability
77.92677556905744
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.648395345701192
pKa (strongest acidic)
8.607504231656836
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Taxonomy

Family
Polyphenols
Class
Stilbenes
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
Riesling wineBeverages, Alcoholic PublicationsShow

Metabolism

No metabolism information available

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