NP-MRD: Showing NP-Card for (2r,3r,4s,5s,6r)-2-{[(2z,4s,5s,6z,8e,11s,12z)-11-hydroxy-13-(4-hydroxy-5,6-dimethoxy-3-methylpyridin-2-yl)-3,5,7,11-tetramethyltrideca-2,6,8,12-tetraen-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol (NP0163085)

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Record Information

Version

2.0

Created at

2022-09-02 21:37:31 UTC

Updated at

2022-09-02 21:37:32 UTC

NP-MRD ID

NP0163085

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,3r,4s,5s,6r)-2-{[(2z,4s,5s,6z,8e,11s,12z)-11-hydroxy-13-(4-hydroxy-5,6-dimethoxy-3-methylpyridin-2-yl)-3,5,7,11-tetramethyltrideca-2,6,8,12-tetraen-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Description

(2R,3R,4S,5S,6R)-2-{[(2Z,4S,5S,6Z,8E,11S,12Z)-11-hydroxy-13-(4-hydroxy-5,6-dimethoxy-3-methylpyridin-2-yl)-3,5,7,11-tetramethyltrideca-2,6,8,12-tetraen-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Based on a literature review very few articles have been published on (2R,3R,4S,5S,6R)-2-{[(2Z,4S,5S,6Z,8E,11S,12Z)-11-hydroxy-13-(4-hydroxy-5,6-dimethoxy-3-methylpyridin-2-yl)-3,5,7,11-tetramethyltrideca-2,6,8,12-tetraen-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022223372D          

 42 43  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309022223372D          

 42 43  0  0  1  0            999 V2000
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   -4.5375   -5.8263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375   -6.6513    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8230   -7.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8230   -7.8888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2520   -7.0638    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2520   -7.8888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9664   -6.6513    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.6809   -7.0638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9664   -5.8263    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.6809   -5.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375   -3.3513    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8230   -2.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2520   -2.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2520   -2.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9664   -1.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375   -1.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5375   -0.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8230   -0.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8230    0.3612    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8230    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6480    0.3612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980    0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5855    1.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980    1.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8230    1.7901    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2355    2.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0605    2.5046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4730    3.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8230    3.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2355    3.9336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8230    4.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980    3.2191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5855    3.9336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5855    2.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605    2.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  1  0  0  0
 12 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  1  0  0  0
  5 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  6  0  0  0
 26 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 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
 34 35  1  0  0  0  0
 33 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 36 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 31 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0163085

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(OC)C(O)=C(C)C(\C=C/[C@@](C)(O)C\C=C\C(\C)=C/[C@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(\C)=C/C)=N1

> <INCHI_IDENTIFIER>
InChI=1S/C31H47NO10/c1-9-18(3)27(42-30-26(37)25(36)24(35)22(16-33)41-30)19(4)15-17(2)11-10-13-31(6,38)14-12-21-20(5)23(34)28(39-7)29(32-21)40-8/h9-12,14-15,19,22,24-27,30,33,35-38H,13,16H2,1-8H3,(H,32,34)/b11-10+,14-12-,17-15-,18-9-/t19-,22+,24+,25-,26+,27+,30-,31-/m0/s1

> <INCHI_KEY>
FXKCPQKAYSQRGI-YWWCYUTMSA-N

> <FORMULA>
C31H47NO10

> <MOLECULAR_WEIGHT>
593.714

> <EXACT_MASS>
593.319996717

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
89

> <JCHEM_AVERAGE_POLARIZABILITY>
63.42166607341128

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4S,5S,6R)-2-{[(2Z,4S,5S,6Z,8E,11S,12Z)-11-hydroxy-13-(4-hydroxy-5,6-dimethoxy-3-methylpyridin-2-yl)-3,5,7,11-tetramethyltrideca-2,6,8,12-tetraen-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
3.02

> <JCHEM_LOGP>
2.8612785643333325

> <ALOGPS_LOGS>
-3.95

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.230358033689539

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.951864420465315

> <JCHEM_PKA_STRONGEST_BASIC>
2.0442952779924473

> <JCHEM_POLAR_SURFACE_AREA>
171.18999999999997

> <JCHEM_REFRACTIVITY>
161.55370000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.62e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3R,4S,5S,6R)-2-{[(2Z,4S,5S,6Z,8E,11S,12Z)-11-hydroxy-13-(4-hydroxy-5,6-dimethoxy-3-methylpyridin-2-yl)-3,5,7,11-tetramethyltrideca-2,6,8,12-tetraen-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0      -5.803  -6.256   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.803  -7.796   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -7.136  -8.566   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -7.136 -10.106   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -8.470  -7.796   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -9.804  -8.566   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -9.804 -10.106   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -8.470 -10.876   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -8.470 -12.416   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -7.136 -13.186   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -7.136 -14.726   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -9.804 -13.186   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -9.804 -14.726   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0     -11.137 -12.416   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0     -12.471 -13.186   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0     -11.137 -10.876   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0     -12.471 -10.106   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -8.470  -6.256   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -7.136  -5.486   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -9.804  -5.486   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -9.804  -3.946   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0     -11.137  -3.176   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -8.470  -3.176   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -8.470  -1.636   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -7.136  -0.866   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -7.136   0.674   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -7.136   2.214   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -8.676   0.674   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -5.596   0.674   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -4.826   2.008   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -5.596   3.342   0.000  0.00  0.00           C+0
HETATM   32  N   UNK     0      -7.136   3.342   0.000  0.00  0.00           N+0
HETATM   33  C   UNK     0      -7.906   4.675   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -9.446   4.675   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0     -10.216   6.009   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -7.136   6.009   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -7.906   7.343   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      -7.136   8.676   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -5.596   6.009   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -4.826   7.343   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      -4.826   4.675   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -3.286   4.675   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   18                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   16                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   12                                                  
CONECT   10    9   11                                                       
CONECT   11   10                                                            
CONECT   12    9   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14    7   17                                                  
CONECT   17   16                                                            
CONECT   18    5   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28   29                                             
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   26   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   41                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   36                                                  
CONECT   34   33   35                                                       
CONECT   35   34                                                            
CONECT   36   33   37   39                                                  
CONECT   37   36   38                                                       
CONECT   38   37                                                            
CONECT   39   36   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   31   42                                                  
CONECT   42   41                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₄₇NO₁₀

Average Mass

593.7140 Da

Monoisotopic Mass

593.32000 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=C(OC)C(O)=C(C)C(\C=C/[C@@](C)(O)C\C=C\C(\C)=C/[C@H](C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(\C)=C/C)=N1

InChI Identifier

InChI=1S/C31H47NO10/c1-9-18(3)27(42-30-26(37)25(36)24(35)22(16-33)41-30)19(4)15-17(2)11-10-13-31(6,38)14-12-21-20(5)23(34)28(39-7)29(32-21)40-8/h9-12,14-15,19,22,24-27,30,33,35-38H,13,16H2,1-8H3,(H,32,34)/b11-10+,14-12-,17-15-,18-9-/t19-,22+,24+,25-,26+,27+,30-,31-/m0/s1

InChI Key

FXKCPQKAYSQRGI-YWWCYUTMSA-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 terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Terpene glycosides

Alternative Parents

Substituents

Terpene glycoside
Farsesane sesquiterpenoid
Sesquiterpenoid
Fatty acyl glycoside of mono- or disaccharide
Fatty acyl glycoside
Hexose monosaccharide
Alkyl glycoside
O-glycosyl compound
Glycosyl compound
Methylpyridine
Hydroxypyridine
Alkyl aryl ether
Fatty acyl
Pyridine
Oxane
Monosaccharide
Heteroaromatic compound
Tertiary alcohol
Secondary alcohol
Oxacycle
Azacycle
Organoheterocyclic compound
Polyol
Ether
Acetal
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organonitrogen compound
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	3.02	ALOGPS
logS	-4	ALOGPS

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

163083268

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r,3r,4s,5s,6r)-2-{[(2z,4s,5s,6z,8e,11s,12z)-11-hydroxy-13-(4-hydroxy-5,6-dimethoxy-3-methylpyridin-2-yl)-3,5,7,11-tetramethyltrideca-2,6,8,12-tetraen-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol (NP0163085)

MOL for NP0163085 ((2r,3r,4s,5s,6r)-2-{[(2z,4s,5s,6z,8e,11s,12z)-11-hydroxy-13-(4-hydroxy-5,6-dimethoxy-3-methylpyridin-2-yl)-3,5,7,11-tetramethyltrideca-2,6,8,12-tetraen-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D MOL for NP0163085 ((2r,3r,4s,5s,6r)-2-{[(2z,4s,5s,6z,8e,11s,12z)-11-hydroxy-13-(4-hydroxy-5,6-dimethoxy-3-methylpyridin-2-yl)-3,5,7,11-tetramethyltrideca-2,6,8,12-tetraen-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D SDF for NP0163085 ((2r,3r,4s,5s,6r)-2-{[(2z,4s,5s,6z,8e,11s,12z)-11-hydroxy-13-(4-hydroxy-5,6-dimethoxy-3-methylpyridin-2-yl)-3,5,7,11-tetramethyltrideca-2,6,8,12-tetraen-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D-SDF for NP0163085 ((2r,3r,4s,5s,6r)-2-{[(2z,4s,5s,6z,8e,11s,12z)-11-hydroxy-13-(4-hydroxy-5,6-dimethoxy-3-methylpyridin-2-yl)-3,5,7,11-tetramethyltrideca-2,6,8,12-tetraen-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

PDB for NP0163085 ((2r,3r,4s,5s,6r)-2-{[(2z,4s,5s,6z,8e,11s,12z)-11-hydroxy-13-(4-hydroxy-5,6-dimethoxy-3-methylpyridin-2-yl)-3,5,7,11-tetramethyltrideca-2,6,8,12-tetraen-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D PDB for NP0163085 ((2r,3r,4s,5s,6r)-2-{[(2z,4s,5s,6z,8e,11s,12z)-11-hydroxy-13-(4-hydroxy-5,6-dimethoxy-3-methylpyridin-2-yl)-3,5,7,11-tetramethyltrideca-2,6,8,12-tetraen-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

SMILES for NP0163085 ((2r,3r,4s,5s,6r)-2-{[(2z,4s,5s,6z,8e,11s,12z)-11-hydroxy-13-(4-hydroxy-5,6-dimethoxy-3-methylpyridin-2-yl)-3,5,7,11-tetramethyltrideca-2,6,8,12-tetraen-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

INCHI for NP0163085 ((2r,3r,4s,5s,6r)-2-{[(2z,4s,5s,6z,8e,11s,12z)-11-hydroxy-13-(4-hydroxy-5,6-dimethoxy-3-methylpyridin-2-yl)-3,5,7,11-tetramethyltrideca-2,6,8,12-tetraen-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

Structure for NP0163085 ((2r,3r,4s,5s,6r)-2-{[(2z,4s,5s,6z,8e,11s,12z)-11-hydroxy-13-(4-hydroxy-5,6-dimethoxy-3-methylpyridin-2-yl)-3,5,7,11-tetramethyltrideca-2,6,8,12-tetraen-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D Structure for NP0163085 ((2r,3r,4s,5s,6r)-2-{[(2z,4s,5s,6z,8e,11s,12z)-11-hydroxy-13-(4-hydroxy-5,6-dimethoxy-3-methylpyridin-2-yl)-3,5,7,11-tetramethyltrideca-2,6,8,12-tetraen-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)