Identification

PhytoHub ID
PHUB001423
Name
Homomangiferin
Synonyms
Not Available
CAS Number
Not Available
Average Mass
436.369
Monoisotopic Mass
436.100561464
Chemical Formula
C20H20O11
IUPAC Name
1,6,7-trihydroxy-3-methoxy-2-[(3R,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
InChI Key
HDPSXKXQSOVYLL-DTINPEIOSA-N
InChI Identifier
InChI=1S/C20H20O11/c1-29-10-4-11-13(15(24)6-2-7(22)8(23)3-9(6)30-11)17(26)14(10)20-19(28)18(27)16(25)12(5-21)31-20/h2-4,12,16,18-23,25-28H,5H2,1H3/t12?,16-,18+,19-,20?/m1/s1
SMILES
COC1=CC2=C(C(O)=C1C1OC(CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)C1=C(O2)C=C(O)C(O)=C1
Structure

Calculated Properties

Solubility (ALOGPS)
2.98e+00 g/l
LogS (ALOGPS)
-2.16
LogP (ALOGPS)
0.01
Hydrogen Acceptors
10
Hydrogen Donors
7
Rotatable Bond Count
3
Polar Surface Area
186.37
Refractivity
102.34049999999998
Polarizability
41.91416601827769
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.9791926276948697
pKa (strongest acidic)
7.387917961428147
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Taxonomy

Family
Polyphenols
Class
Miscellaneous polyphenols
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
MangoFruit, Tropical fruitsShow

Metabolism

No metabolism information available

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