NP-MRD: Showing NP-Card for [(3s,4r,5r)-3,4-dihydroxy-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-hydroxybenzoate (NP0260101)

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Record Information

Version

2.0

Created at

2022-09-08 02:10:07 UTC

Updated at

2022-09-08 02:10:07 UTC

NP-MRD ID

NP0260101

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(3s,4r,5r)-3,4-dihydroxy-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-hydroxybenzoate

Description

[(3S,4R,5R)-3,4-dihydroxy-5-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-hydroxybenzoate 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. Based on a literature review very few articles have been published on [(3S,4R,5R)-3,4-dihydroxy-5-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-hydroxybenzoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082204102D          

 40 43  0  0  1  0            999 V2000
   -1.9412   -7.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4563   -8.6559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1509   -9.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1545   -9.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -9.7321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0051   -8.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5202   -7.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3003   -7.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7852   -7.1485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4497   -6.3949    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -1.0839   -4.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3 10  1  0  0  0  0
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 37 38  1  6  0  0  0
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 12 39  1  0  0  0  0
 39 40  1  1  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309082204102D          

 40 43  0  0  1  0            999 V2000
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   -0.9784   -2.1006    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1937   -1.8456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2215   -4.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5570   -4.1338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7064   -5.5550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5269   -5.4687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3708   -6.3086    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8558   -6.9761    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  2  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
  5  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 17 16  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  2  0  0  0  0
 26 32  1  0  0  0  0
 20 33  1  0  0  0  0
 17 33  1  0  0  0  0
 33 34  1  1  0  0  0
 14 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
 37 38  1  6  0  0  0
 37 39  1  0  0  0  0
 12 39  1  0  0  0  0
 39 40  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0260101

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(CO)=CC=C1O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(COC(=O)C3=CC=C(O)C=C3)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C26H32O14/c1-35-17-8-13(9-27)2-7-16(17)39-24-21(31)20(30)19(29)18(40-24)10-36-25-22(32)26(34,12-38-25)11-37-23(33)14-3-5-15(28)6-4-14/h2-8,18-22,24-25,27-32,34H,9-12H2,1H3/t18-,19-,20+,21-,22+,24-,25-,26-/m1/s1

> <INCHI_KEY>
FLLLEVXQNGRTCK-RMOHBAFUSA-N

> <FORMULA>
C26H32O14

> <MOLECULAR_WEIGHT>
568.528

> <EXACT_MASS>
568.17920571

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
55.40921251312223

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(3S,4R,5R)-3,4-dihydroxy-5-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-hydroxybenzoate

> <JCHEM_LOGP>
-0.6081731650000003

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.690232748982547

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.497192460443989

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8257256421166046

> <JCHEM_POLAR_SURFACE_AREA>
214.05999999999997

> <JCHEM_REFRACTIVITY>
131.93550000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
[(3S,4R,5R)-3,4-dihydroxy-5-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-hydroxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      -3.624 -14.912   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -2.718 -16.158   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.187 -15.997   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.282 -17.243   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.250 -17.082   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.155 -18.327   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       3.687 -18.167   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.876 -15.675   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.971 -14.429   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.561 -14.590   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -1.466 -13.344   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -0.839 -11.937   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -1.745 -10.691   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -1.118  -9.284   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.023  -8.038   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -1.397  -6.632   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -2.302  -5.386   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -3.842  -5.386   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -4.318  -3.921   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.072  -3.016   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -4.103  -1.871   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -2.042  -1.871   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -0.535  -2.192   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       0.495  -1.047   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       2.001  -1.367   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       0.019   0.417   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.487   0.738   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.963   2.202   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -0.933   3.347   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -1.408   4.811   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       0.574   3.027   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.050   1.562   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -1.826  -3.921   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -0.362  -3.445   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       0.413  -9.123   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       1.040  -7.716   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       1.319 -10.369   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       2.850 -10.208   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       0.692 -11.776   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       1.597 -13.022   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6                                                            
CONECT    8    5    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9    3   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   39                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   35                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   33                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22   33                                             
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   32                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32                                                       
CONECT   32   31   26                                                       
CONECT   33   20   17   34                                                  
CONECT   34   33                                                            
CONECT   35   14   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   12   40                                                  
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   86    0
END

View in JSmol

Synonyms

Value	Source
[(3S,4R,5R)-3,4-Dihydroxy-5-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-hydroxybenzoic acid	Generator

Chemical Formula

C₂₆H₃₂O₁₄

Average Mass

568.5280 Da

Monoisotopic Mass

568.17921 Da

IUPAC Name

[(3S,4R,5R)-3,4-dihydroxy-5-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-hydroxybenzoate

Traditional Name

[(3S,4R,5R)-3,4-dihydroxy-5-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-hydroxybenzoate

CAS Registry Number

Not Available

SMILES

COC1=CC(CO)=CC=C1O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(COC(=O)C3=CC=C(O)C=C3)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C26H32O14/c1-35-17-8-13(9-27)2-7-16(17)39-24-21(31)20(30)19(29)18(40-24)10-36-25-22(32)26(34,12-38-25)11-37-23(33)14-3-5-15(28)6-4-14/h2-8,18-22,24-25,27-32,34H,9-12H2,1H3/t18-,19-,20+,21-,22+,24-,25-,26-/m1/s1

InChI Key

FLLLEVXQNGRTCK-RMOHBAFUSA-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

Not Available

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
P-hydroxybenzoic acid alkyl ester
P-hydroxybenzoic acid ester
Disaccharide
O-glycosyl compound
Benzoate ester
Benzoic acid or derivatives
Anisole
Phenoxy compound
Benzoyl
Benzyl alcohol
Phenol ether
Methoxybenzene
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Monocyclic benzene moiety
Benzenoid
Oxane
Tertiary alcohol
Tetrahydrofuran
Carboxylic acid ester
Secondary alcohol
Monocarboxylic acid or derivatives
Ether
Carboxylic acid derivative
Acetal
Polyol
Oxacycle
Organoheterocyclic compound
Organic oxide
Primary alcohol
Alcohol
Aromatic alcohol
Hydrocarbon derivative
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	-0.61	ChemAxon
pKa (Strongest Acidic)	8.5	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	214.06 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	131.94 m³·mol⁻¹	ChemAxon
Polarizability	55.41 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

162902215

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for [(3s,4r,5r)-3,4-dihydroxy-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-hydroxybenzoate (NP0260101)

MOL for NP0260101 ([(3s,4r,5r)-3,4-dihydroxy-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-hydroxybenzoate)

3D MOL for NP0260101 ([(3s,4r,5r)-3,4-dihydroxy-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-hydroxybenzoate)

3D SDF for NP0260101 ([(3s,4r,5r)-3,4-dihydroxy-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-hydroxybenzoate)

3D-SDF for NP0260101 ([(3s,4r,5r)-3,4-dihydroxy-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-hydroxybenzoate)

PDB for NP0260101 ([(3s,4r,5r)-3,4-dihydroxy-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-hydroxybenzoate)

3D PDB for NP0260101 ([(3s,4r,5r)-3,4-dihydroxy-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-hydroxybenzoate)

SMILES for NP0260101 ([(3s,4r,5r)-3,4-dihydroxy-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-hydroxybenzoate)

INCHI for NP0260101 ([(3s,4r,5r)-3,4-dihydroxy-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-hydroxybenzoate)

Structure for NP0260101 ([(3s,4r,5r)-3,4-dihydroxy-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-hydroxybenzoate)

3D Structure for NP0260101 ([(3s,4r,5r)-3,4-dihydroxy-5-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxan-2-yl]methoxy}oxolan-3-yl]methyl 4-hydroxybenzoate)