NP-MRD: Showing NP-Card for (4s,5r)-4-hydroxy-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-3,5-dimethyl-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one (NP0229072)

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Record Information

Version

2.0

Created at

2022-09-06 08:58:57 UTC

Updated at

2022-09-06 08:58:57 UTC

NP-MRD ID

NP0229072

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(4s,5r)-4-hydroxy-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-3,5-dimethyl-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one

Description

(4S,5R)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-en-1-yl]-3,5-dimethyl-5-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one 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. (4s,5r)-4-hydroxy-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-3,5-dimethyl-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one is found in Juniperus phoenicea. Based on a literature review very few articles have been published on (4S,5R)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-en-1-yl]-3,5-dimethyl-5-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309062210582D          

 28 29  0  0  1  0            999 V2000
   -1.9592   -2.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448   -2.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448   -3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5303   -3.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5303   -4.7570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842   -3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842   -2.6945    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9966   -2.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4663   -1.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2788   -1.7760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5610   -1.0007    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0307   -0.3687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3128    0.4065    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7825    1.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0647    1.8137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1253    0.5498    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4075    1.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6556   -0.0822    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4681    0.0610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3734   -0.8575    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9037   -1.4895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5303   -2.2820    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9176   -1.5536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1430   -1.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5802   -0.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1929   -0.1255    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6316   -0.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6300    0.5742    0.0000 O   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
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  1  0  0  0
  9 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 11 20  1  0  0  0  0
 20 21  1  1  0  0  0
  7 22  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  1  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  6  0  0  0
M  END


  Mrv1652309062210582D          

 28 29  0  0  1  0            999 V2000
   -1.9592   -2.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448   -2.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448   -3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5303   -3.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5303   -4.7570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842   -3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842   -2.6945    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9966   -2.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4663   -1.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2788   -1.7760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5610   -1.0007    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0307   -0.3687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3128    0.4065    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7825    1.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0647    1.8137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1253    0.5498    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4075    1.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6556   -0.0822    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4681    0.0610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3734   -0.8575    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9037   -1.4895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5303   -2.2820    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9176   -1.5536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1430   -1.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5802   -0.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1929   -0.1255    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6316   -0.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6300    0.5742    0.0000 O   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
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  1  0  0  0
  9 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 11 20  1  0  0  0  0
 20 21  1  1  0  0  0
  7 22  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  1  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0229072

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H](O)\C=C\[C@]1(O)C(C)=CC(=O)C[C@]1(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C19H30O9/c1-10-6-12(22)7-18(3,19(10,26)5-4-11(2)21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,11,13-17,20-21,23-26H,7-9H2,1-3H3/b5-4+/t11-,13-,14-,15+,16-,17-,18-,19+/m1/s1

> <INCHI_KEY>
UUUMPMJOJKTIFJ-ZWQYRTBQSA-N

> <FORMULA>
C19H30O9

> <MOLECULAR_WEIGHT>
402.44

> <EXACT_MASS>
402.188982546

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
58

> <JCHEM_AVERAGE_POLARIZABILITY>
40.456430013290856

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4S,5R)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-en-1-yl]-3,5-dimethyl-5-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one

> <JCHEM_LOGP>
-1.632607767333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.989104965572803

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.178768678392743

> <JCHEM_PKA_STRONGEST_BASIC>
-2.668731520649559

> <JCHEM_POLAR_SURFACE_AREA>
156.91

> <JCHEM_REFRACTIVITY>
99.1152

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(4S,5R)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-en-1-yl]-3,5-dimethyl-5-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      -3.657  -4.260   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.324  -5.030   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.324  -6.570   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.990  -7.340   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -0.990  -8.880   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       0.344  -6.570   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.344  -5.030   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.860  -5.297   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.870  -3.583   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       2.387  -3.315   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       2.914  -1.868   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       1.924  -0.688   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.451   0.759   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.461   1.939   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       1.987   3.386   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       3.967   1.026   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       4.494   2.473   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       4.957  -0.153   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       6.474   0.114   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       4.430  -1.601   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       5.420  -2.780   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -0.990  -4.260   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -1.713  -2.900   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -0.267  -2.900   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -1.083  -1.594   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.360  -0.234   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.179  -0.180   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -1.176   1.072   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   22                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8    9   22                                             
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   20                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   16                                                  
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16   13   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   11   21                                                  
CONECT   21   20                                                            
CONECT   22    7    2   23   24                                             
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
MASTER        0    0    0    0    0    0    0    0   28    0   58    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₃₀O₉

Average Mass

402.4400 Da

Monoisotopic Mass

402.18898 Da

IUPAC Name

(4S,5R)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-en-1-yl]-3,5-dimethyl-5-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one

Traditional Name

(4S,5R)-4-hydroxy-4-[(1E,3R)-3-hydroxybut-1-en-1-yl]-3,5-dimethyl-5-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one

CAS Registry Number

Not Available

SMILES

C[C@@H](O)\C=C\[C@]1(O)C(C)=CC(=O)C[C@]1(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C19H30O9/c1-10-6-12(22)7-18(3,19(10,26)5-4-11(2)21)9-27-17-16(25)15(24)14(23)13(8-20)28-17/h4-6,11,13-17,20-21,23-26H,7-9H2,1-3H3/b5-4+/t11-,13-,14-,15+,16-,17-,18-,19+/m1/s1

InChI Key

UUUMPMJOJKTIFJ-ZWQYRTBQSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Juniperus phoenicea	LOTUS Database	35616633

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
Sesquiterpenoid
Cyclofarsesane sesquiterpenoid
Megastigmane sesquiterpenoid
Ionone derivative
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Cyclohexenone
Monosaccharide
Oxane
Tertiary alcohol
Ketone
Secondary alcohol
Cyclic ketone
Polyol
Organoheterocyclic compound
Oxacycle
Acetal
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic 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	-1.6	ChemAxon
pKa (Strongest Acidic)	12.18	ChemAxon
pKa (Strongest Basic)	-2.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	156.91 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	99.12 m³·mol⁻¹	ChemAxon
Polarizability	40.46 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	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

162954689

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (4s,5r)-4-hydroxy-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-3,5-dimethyl-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one (NP0229072)

MOL for NP0229072 ((4s,5r)-4-hydroxy-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-3,5-dimethyl-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one)

3D MOL for NP0229072 ((4s,5r)-4-hydroxy-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-3,5-dimethyl-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one)

3D SDF for NP0229072 ((4s,5r)-4-hydroxy-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-3,5-dimethyl-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one)

3D-SDF for NP0229072 ((4s,5r)-4-hydroxy-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-3,5-dimethyl-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one)

PDB for NP0229072 ((4s,5r)-4-hydroxy-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-3,5-dimethyl-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one)

3D PDB for NP0229072 ((4s,5r)-4-hydroxy-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-3,5-dimethyl-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one)

SMILES for NP0229072 ((4s,5r)-4-hydroxy-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-3,5-dimethyl-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one)

INCHI for NP0229072 ((4s,5r)-4-hydroxy-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-3,5-dimethyl-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one)

Structure for NP0229072 ((4s,5r)-4-hydroxy-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-3,5-dimethyl-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one)

3D Structure for NP0229072 ((4s,5r)-4-hydroxy-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-3,5-dimethyl-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclohex-2-en-1-one)