Identification

PhytoHub ID
PHUB000332
Name
2,4,6-Trihydroxyphenanthrene 2-O-glucoside
Synonyms
Not Available
CAS Number
Not Available
Average Mass
388.372
Monoisotopic Mass
388.115817604
Chemical Formula
C20H20O8
IUPAC Name
2-[(4,6-dihydroxyphenanthren-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI Key
OLRKGPYAYTYJGF-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C20H20O8/c21-8-15-17(24)18(25)19(26)20(28-15)27-12-5-10-2-1-9-3-4-11(22)6-13(9)16(10)14(23)7-12/h1-7,15,17-26H,8H2
SMILES
OCC1OC(OC2=CC(O)=C3C(C=CC4=CC=C(O)C=C34)=C2)C(O)C(O)C1O
Structure

Calculated Properties

Solubility (ALOGPS)
1.15e+00 g/l
LogS (ALOGPS)
-2.53
LogP (ALOGPS)
0.70
Hydrogen Acceptors
8
Hydrogen Donors
6
Rotatable Bond Count
3
Polar Surface Area
139.84
Refractivity
97.04549999999999
Polarizability
38.89397697459447
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.9810923437305883
pKa (strongest acidic)
8.789112236675871
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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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