NP-MRD: Showing NP-Card for (2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol (NP0178658)

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Record Information

Version

2.0

Created at

2022-09-03 16:41:21 UTC

Updated at

2022-09-03 16:41:21 UTC

NP-MRD ID

NP0178658

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol

Description

94410-28-3, Also known as darendoside b, belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. (2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol is found in Catalpa ovata, Scrophularia ningpoensis, Scutellaria orientalis, Stachys byzantina and Volkameria inermis. Based on a literature review very few articles have been published on 94410-28-3.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032218412D          

 33 35  0  0  1  0            999 V2000
    3.2452   -2.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2452   -1.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5307   -1.1409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8163   -1.5534    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8163   -2.3784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1018   -2.7909    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1018   -3.6159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3873   -4.0284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3873   -2.3784    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3272   -2.7909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3873   -1.5534    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3272   -1.1409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0416   -1.5534    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0416   -2.3784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7561   -2.7909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -2.4706   -2.3784    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1850   -2.7909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7561   -1.1409    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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 25 33  1  0  0  0  0
M  END

     RDKit          3D

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    4.9263    1.9510    2.1302 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7843    2.1939    0.1049 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9544    2.2387   -1.2715 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    1.6701    0.5297 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -0.6539   -0.3021   -1.0530 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3031    0.6065   -2.0919 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652309032218412D          

 33 35  0  0  1  0            999 V2000
    3.2452   -2.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2452   -1.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4891   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0519    0.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4392    1.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2637    1.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510    1.7728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0178658

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@]1(O)C1=CC=C(OC)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C21H32O12/c1-4-30-20-21(28,10-5-6-12(29-3)11(23)7-10)18(15(25)13(8-22)32-20)33-19-17(27)16(26)14(24)9(2)31-19/h5-7,9,13-20,22-28H,4,8H2,1-3H3/t9-,13+,14-,15+,16+,17+,18-,19-,20+,21+/m0/s1

> <INCHI_KEY>
ZLPXZRZUFKQINJ-DDPVKAFRSA-N

> <FORMULA>
C21H32O12

> <MOLECULAR_WEIGHT>
476.475

> <EXACT_MASS>
476.18937647

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
47.301262254580166

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5R,6R)-2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol

> <JCHEM_LOGP>
-1.4695251949999997

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.441829804686746

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.749015378227668

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9811219941970375

> <JCHEM_POLAR_SURFACE_AREA>
187.76

> <JCHEM_REFRACTIVITY>
109.23910000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5R,6R)-2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0       6.058  -4.440   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.058  -2.900   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       4.724  -2.130   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       3.390  -2.900   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       3.390  -4.440   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       2.057  -5.210   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.057  -6.750   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       0.723  -7.520   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       0.723  -4.440   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -0.611  -5.210   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       0.723  -2.900   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -0.611  -2.130   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -1.944  -2.900   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -1.944  -4.440   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -3.278  -5.210   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -3.278  -6.750   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.612  -4.440   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -5.945  -5.210   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -4.612  -2.900   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -5.945  -2.130   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -3.278  -2.130   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -3.278  -0.590   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       2.057  -2.130   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       2.780  -0.770   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.964   0.536   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.687   1.896   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       4.226   1.949   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       4.949   3.309   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       4.133   4.615   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.042   0.643   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       6.581   0.697   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       4.319  -0.716   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   23                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    9                                                  
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    6   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   23                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   21                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   13   22                                                  
CONECT   22   21                                                            
CONECT   23   11    4   24   25                                             
CONECT   24   23                                                            
CONECT   25   23   26   33                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   31                                                  
CONECT   29   28   30                                                       
CONECT   30   29                                                            
CONECT   31   28   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   25                                                       
MASTER        0    0    0    0    0    0    0    0   33    0   70    0
END

View in JSmol

Synonyms

Value	Source
Deacyl martynoside	MeSH
beta-(3-Hydroxy-4-methoxyphenyl)ethyl O-alpha-L-rhamnopyranosyl-(1-3)-O-beta-D-glucopyranoside	MeSH
Darendoside b	MeSH

Chemical Formula

C₂₁H₃₂O₁₂

Average Mass

476.4750 Da

Monoisotopic Mass

476.18938 Da

IUPAC Name

(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5R,6R)-2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol

Traditional Name

(2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5R,6R)-2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol

CAS Registry Number

Not Available

SMILES

CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@]1(O)C1=CC=C(OC)C(O)=C1

InChI Identifier

InChI=1S/C21H32O12/c1-4-30-20-21(28,10-5-6-12(29-3)11(23)7-10)18(15(25)13(8-22)32-20)33-19-17(27)16(26)14(24)9(2)31-19/h5-7,9,13-20,22-28H,4,8H2,1-3H3/t9-,13+,14-,15+,16+,17+,18-,19-,20+,21+/m0/s1

InChI Key

ZLPXZRZUFKQINJ-DDPVKAFRSA-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
Catalpa ovata	LOTUS Database	35616633
Scrophularia ningpoensis	LOTUS Database	35616633
Scutellaria orientalis	LOTUS Database	35616633
Stachys byzantina	LOTUS Database	35616633
Volkameria inermis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

O-glycosyl compound
Disaccharide
Methoxyphenol
Phenoxy compound
Methoxybenzene
Phenol ether
Anisole
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Alkyl aryl ether
Benzenoid
Oxane
Monocyclic benzene moiety
Tertiary alcohol
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Ether
Acetal
Hydrocarbon derivative
Primary alcohol
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	-1.5	ChemAxon
pKa (Strongest Acidic)	9.75	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	187.76 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	109.24 m³·mol⁻¹	ChemAxon
Polarizability	47.3 Å³	ChemAxon
Number of Rings	3	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

C00037004

Chemspider ID

166880

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

192240

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol (NP0178658)

MOL for NP0178658 ((2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol)

3D MOL for NP0178658 ((2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol)

3D SDF for NP0178658 ((2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol)

3D-SDF for NP0178658 ((2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol)

PDB for NP0178658 ((2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol)

3D PDB for NP0178658 ((2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol)

SMILES for NP0178658 ((2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol)

INCHI for NP0178658 ((2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol)

Structure for NP0178658 ((2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol)

3D Structure for NP0178658 ((2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-2-ethoxy-3,5-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(hydroxymethyl)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol)