Identification

PhytoHub ID
PHUB000330
Name
Pallidol 3-O-glucoside
Synonyms
Not Available
CAS Number
Not Available
Average Mass
616.619
Monoisotopic Mass
616.19446185
Chemical Formula
C34H32O11
IUPAC Name
2-(hydroxymethyl)-6-{[(1R,8R,9R,16R)-6,12,14-trihydroxy-8,16-bis(4-hydroxyphenyl)tetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaen-4-yl]oxy}oxane-3,4,5-triol
InChI Key
LVYZAJNLNYSPIX-ARVGUIPYSA-N
InChI Identifier
InChI=1S/C34H32O11/c35-13-24-31(41)32(42)33(43)34(45-24)44-19-11-21-28(23(40)12-19)26(15-3-7-17(37)8-4-15)29-20-9-18(38)10-22(39)27(20)25(30(21)29)14-1-5-16(36)6-2-14/h1-12,24-26,29-43H,13H2/t24?,25-,26-,29+,30+,31?,32?,33?,34?/m1/s1
SMILES
[H][C@]12[C@@H](C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3[C@@]1([H])[C@@H](C1=C(O)C=C(O)C=C21)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
Structure

Calculated Properties

Solubility (ALOGPS)
1.07e-01 g/l
LogS (ALOGPS)
-3.76
LogP (ALOGPS)
2.55
Hydrogen Acceptors
11
Hydrogen Donors
9
Rotatable Bond Count
5
Polar Surface Area
200.52999999999997
Refractivity
160.08640000000003
Polarizability
63.284374280079454
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.648395345701193
pKa (strongest acidic)
9.142022780348515
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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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