NP-MRD: Showing NP-Card for (6-{2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate (NP0201150)

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Record Information

Version

2.0

Created at

2022-09-04 20:08:37 UTC

Updated at

2022-09-04 20:08:37 UTC

NP-MRD ID

NP0201150

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(6-{2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate

Description

[3,5-Dihydroxy-4-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl}oxy)phenyl]methyl 3,4,5-trihydroxybenzoate belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. (6-{2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate is found in Castanopsis sieboldii. [3,5-Dihydroxy-4-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl}oxy)phenyl]methyl 3,4,5-trihydroxybenzoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171521102D          

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M  END

     RDKit          3D

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M  END


  Mrv1533004171521102D          

 44 47  0  0  0  0            999 V2000
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   -3.5724  -10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000  -11.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289  -12.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    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
  3  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  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 10 18  1  0  0  0  0
  5 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 31 39  1  0  0  0  0
 26 40  1  0  0  0  0
 40 41  2  0  0  0  0
 22 41  1  0  0  0  0
 41 42  1  0  0  0  0
 20 43  1  0  0  0  0
  2 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0201150

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=C(O)C=C(COC(=O)C3=CC(O)=C(O)C(O)=C3)C=C2O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H26O17/c28-12-3-10(4-13(29)19(12)34)25(39)41-7-9-1-16(32)24(17(33)2-9)44-27-23(38)22(37)21(36)18(43-27)8-42-26(40)11-5-14(30)20(35)15(31)6-11/h1-6,18,21-23,27-38H,7-8H2

> <INCHI_KEY>
XEKUYARULOBJQZ-UHFFFAOYSA-N

> <FORMULA>
C27H26O17

> <MOLECULAR_WEIGHT>
622.488

> <EXACT_MASS>
622.116999377

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
57.558558877351096

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6-{2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate

> <ALOGPS_LOGP>
1.47

> <JCHEM_LOGP>
1.1963397576666663

> <ALOGPS_LOGS>
-3.13

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.380116256868765

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.7964541414396225

> <JCHEM_PKA_STRONGEST_BASIC>
-4.835323602857019

> <JCHEM_POLAR_SURFACE_AREA>
293.59

> <JCHEM_REFRACTIVITY>
142.49039999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.58e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6-{2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  O   UNK     0      -6.668  -5.390   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -6.668  -6.930   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -8.002  -7.700   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -9.336  -6.930   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -8.002  -9.240   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -9.336 -10.010   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0     -10.669  -9.240   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0     -12.003 -10.010   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0     -12.003 -11.550   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0     -13.337  -9.240   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -14.670 -10.010   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -16.004  -9.240   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0     -17.338 -10.010   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0     -16.004  -7.700   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0     -17.338  -6.930   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0     -14.670  -6.930   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0     -14.670  -5.390   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0     -13.337  -7.700   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -6.668 -10.010   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -4.001 -10.010   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -1.334 -11.550   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -2.667 -13.860   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -4.001 -14.630   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -4.001 -16.170   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -5.335 -16.940   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -5.335 -18.480   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -6.668 -19.250   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -4.001 -19.250   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -2.667 -18.480   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -1.334 -19.250   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       0.000 -18.480   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -1.334 -20.790   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       0.000 -21.560   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -2.667 -21.560   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -2.667 -23.100   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      -4.001 -20.790   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -5.335 -13.860   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -5.335 -12.320   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      -6.668 -11.550   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      -5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      -4.001  -6.930   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   43                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   19                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   18                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   10                                                       
CONECT   19    5   20                                                       
CONECT   20   19   21   43                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   41                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27   40                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   39                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   31                                                       
CONECT   40   26   41                                                       
CONECT   41   40   22   42                                                  
CONECT   42   41                                                            
CONECT   43   20    2   44                                                  
CONECT   44   43                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   94    0
END

View in JSmol

Synonyms

Value	Source
[3,5-Dihydroxy-4-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl}oxy)phenyl]methyl 3,4,5-trihydroxybenzoic acid	Generator

Chemical Formula

C₂₇H₂₆O₁₇

Average Mass

622.4880 Da

Monoisotopic Mass

622.11700 Da

IUPAC Name

(6-{2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate

Traditional Name

(6-{2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate

CAS Registry Number

Not Available

SMILES

OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=C(O)C=C(COC(=O)C3=CC(O)=C(O)C(O)=C3)C=C2O)C1O

InChI Identifier

InChI=1S/C27H26O17/c28-12-3-10(4-13(29)19(12)34)25(39)41-7-9-1-16(32)24(17(33)2-9)44-27-23(38)22(37)21(36)18(43-27)8-42-26(40)11-5-14(30)20(35)15(31)6-11/h1-6,18,21-23,27-38H,7-8H2

InChI Key

XEKUYARULOBJQZ-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Castanopsis sieboldii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Phenolic glycosides

Alternative Parents

Substituents

Phenolic glycoside
Galloyl ester
Gallic acid or derivatives
P-hydroxybenzoic acid alkyl ester
M-hydroxybenzoic acid ester
P-hydroxybenzoic acid ester
O-glycosyl compound
Benzoate ester
Benzyloxycarbonyl
Benzenetriol
Benzoic acid or derivatives
Pyrogallol derivative
Phenoxy compound
Benzoyl
Phenol ether
Resorcinol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Oxane
Benzenoid
Monosaccharide
Dicarboxylic acid or derivatives
Monocyclic benzene moiety
Carboxylic acid ester
Secondary alcohol
Organoheterocyclic compound
Carboxylic acid derivative
Oxacycle
Acetal
Polyol
Hydrocarbon derivative
Organic oxide
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	1.47	ALOGPS
logP	1.2	ChemAxon
logS	-3.1	ALOGPS
pKa (Strongest Acidic)	7.8	ChemAxon
pKa (Strongest Basic)	-4.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	293.59 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	142.49 m³·mol⁻¹	ChemAxon
Polarizability	57.56 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	Yes	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

73813211

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (6-{2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate (NP0201150)

MOL for NP0201150 ((6-{2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate)

3D MOL for NP0201150 ((6-{2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate)

3D SDF for NP0201150 ((6-{2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate)

3D-SDF for NP0201150 ((6-{2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate)

PDB for NP0201150 ((6-{2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate)

3D PDB for NP0201150 ((6-{2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate)

SMILES for NP0201150 ((6-{2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate)

INCHI for NP0201150 ((6-{2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate)

Structure for NP0201150 ((6-{2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate)

3D Structure for NP0201150 ((6-{2,6-dihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]phenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate)