NP-MRD: Showing NP-Card for 2-{[6,6-bis(3,4-dihydroxyphenyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol (NP0325304)

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Record Information

Version

2.0

Created at

2022-09-12 05:58:03 UTC

Updated at

2022-09-12 05:58:03 UTC

NP-MRD ID

NP0325304

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-{[6,6-bis(3,4-dihydroxyphenyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Description

2-{[6,6-Bis(3,4-dihydroxyphenyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. 2-{[6,6-Bis(3,4-dihydroxyphenyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004191521452D          

 34 37  0  0  0  0            999 V2000
    0.2876   -2.7596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0020   -3.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0020   -3.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7165   -4.4096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7165   -5.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310   -5.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1455   -5.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1455   -4.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8599   -3.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5744   -4.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5744   -5.2346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8599   -5.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7740   -3.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1805   -3.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3801   -2.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1732   -2.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3727   -1.2076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7666   -2.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5597   -2.3538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5670   -3.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3989   -4.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7862   -3.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6107   -3.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0479   -4.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8724   -4.2944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6606   -5.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0978   -5.7513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8361   -5.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0020   -5.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0020   -6.4721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2876   -5.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4269   -5.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2876   -4.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4269   -3.9971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 13 20  1  0  0  0  0
 10 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 21 28  1  0  0  0  0
  5 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
  3 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END


  Mrv1533004191521452D          

 34 37  0  0  0  0            999 V2000
    0.2876   -2.7596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0020   -3.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0020   -3.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7165   -4.4096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7165   -5.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310   -5.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1455   -5.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1455   -4.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8599   -3.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5744   -4.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5744   -5.2346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8599   -5.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7740   -3.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1805   -3.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3801   -2.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1732   -2.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3727   -1.2076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7666   -2.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5597   -2.3538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5670   -3.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3989   -4.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7862   -3.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6107   -3.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0479   -4.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8724   -4.2944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6606   -5.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0978   -5.7513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8361   -5.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0020   -5.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0020   -6.4721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2876   -5.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4269   -5.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2876   -4.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4269   -3.9971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 13 20  1  0  0  0  0
 10 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 21 28  1  0  0  0  0
  5 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
  3 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0325304

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OCC1OC(OC2CCC(OC2)(C2=CC=C(O)C(O)=C2)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C23H28O11/c24-9-18-19(29)20(30)21(31)22(34-18)33-13-5-6-23(32-10-13,11-1-3-14(25)16(27)7-11)12-2-4-15(26)17(28)8-12/h1-4,7-8,13,18-22,24-31H,5-6,9-10H2

> <INCHI_KEY>
UDQVZEIGELAKAO-UHFFFAOYSA-N

> <FORMULA>
C23H28O11

> <MOLECULAR_WEIGHT>
480.466

> <EXACT_MASS>
480.163161722

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
62

> <JCHEM_AVERAGE_POLARIZABILITY>
47.81798175712234

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[6,6-bis(3,4-dihydroxyphenyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
0.24

> <JCHEM_LOGP>
0.2086774403333332

> <ALOGPS_LOGS>
-2.74

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.49467341344899

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.893333882399979

> <JCHEM_PKA_STRONGEST_BASIC>
-2.98108355196959

> <JCHEM_POLAR_SURFACE_AREA>
189.52999999999997

> <JCHEM_REFRACTIVITY>
115.83890000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.84e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{[6,6-bis(3,4-dihydroxyphenyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 19-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-15         0                                  
HETATM    1  O   UNK     0       0.537  -5.151   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       1.870  -5.921   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.870  -7.461   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       3.204  -8.231   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       3.204  -9.771   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       4.538 -10.541   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       5.872  -9.771   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.872  -8.231   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.205  -7.461   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.539  -8.231   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       8.539  -9.771   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       7.205 -10.541   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.911  -6.737   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.804  -5.667   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.176  -4.173   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.657  -3.748   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      10.029  -2.254   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      10.764  -4.818   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      12.245  -4.394   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      10.392  -6.312   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.078  -8.177   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.801  -6.818   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      12.340  -6.764   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      13.156  -8.070   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      14.695  -8.016   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      12.433  -9.430   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      13.249 -10.736   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      10.894  -9.483   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.870 -10.541   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       1.870 -12.081   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       0.537  -9.771   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -0.797 -10.541   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       0.537  -8.231   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -0.797  -7.461   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   33                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   29                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   12                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   13   21                                             
CONECT   11   10   12                                                       
CONECT   12   11    7                                                       
CONECT   13   10   14   20                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   13                                                       
CONECT   21   10   22   28                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   21                                                       
CONECT   29    5   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31    3   34                                                  
CONECT   34   33                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   74    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₃H₂₈O₁₁

Average Mass

480.4660 Da

Monoisotopic Mass

480.16316 Da

IUPAC Name

2-{[6,6-bis(3,4-dihydroxyphenyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

2-{[6,6-bis(3,4-dihydroxyphenyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

Not Available

SMILES

OCC1OC(OC2CCC(OC2)(C2=CC=C(O)C(O)=C2)C2=CC=C(O)C(O)=C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C23H28O11/c24-9-18-19(29)20(30)21(31)22(34-18)33-13-5-6-23(32-10-13,11-1-3-14(25)16(27)7-11)12-2-4-15(26)17(28)8-12/h1-4,7-8,13,18-22,24-31H,5-6,9-10H2

InChI Key

UDQVZEIGELAKAO-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Diphenylmethanes

Direct Parent

Diphenylmethanes

Alternative Parents

Substituents

Diphenylmethane
Glycosyl compound
O-glycosyl compound
Catechol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monosaccharide
Oxane
Secondary alcohol
Organoheterocyclic compound
Acetal
Oxacycle
Ether
Dialkyl ether
Polyol
Alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Primary alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	0.24	ALOGPS
logP	0.21	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Acidic)	8.89	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	189.53 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	115.84 m³·mol⁻¹	ChemAxon
Polarizability	47.82 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-{[6,6-bis(3,4-dihydroxyphenyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol (NP0325304)

MOL for NP0325304 (2-{[6,6-bis(3,4-dihydroxyphenyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D MOL for NP0325304 (2-{[6,6-bis(3,4-dihydroxyphenyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D SDF for NP0325304 (2-{[6,6-bis(3,4-dihydroxyphenyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D-SDF for NP0325304 (2-{[6,6-bis(3,4-dihydroxyphenyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

PDB for NP0325304 (2-{[6,6-bis(3,4-dihydroxyphenyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D PDB for NP0325304 (2-{[6,6-bis(3,4-dihydroxyphenyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

SMILES for NP0325304 (2-{[6,6-bis(3,4-dihydroxyphenyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

INCHI for NP0325304 (2-{[6,6-bis(3,4-dihydroxyphenyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

Structure for NP0325304 (2-{[6,6-bis(3,4-dihydroxyphenyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D Structure for NP0325304 (2-{[6,6-bis(3,4-dihydroxyphenyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)