NP-MRD: Showing NP-Card for [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({4-[(4-hydroxy-2-methylidenebutanoyl)oxy]-2-methylidenebutanoyl}oxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate (NP0191488)

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Record Information

Version

2.0

Created at

2022-09-04 08:28:30 UTC

Updated at

2022-09-04 08:28:30 UTC

NP-MRD ID

NP0191488

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({4-[(4-hydroxy-2-methylidenebutanoyl)oxy]-2-methylidenebutanoyl}oxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate

Description

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({4-[(4-hydroxy-2-methylidenebutanoyl)oxy]-2-methylidenebutanoyl}oxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate belongs to the class of organic compounds known as saccharolipids. Saccharolipids are compounds in which fatty acids are linked directly to a sugar backbone, forming structures that are compatible with membrane bilayers. In the saccharolipids, a sugar substitutes for the glycerol backbone that is present in glycerolipids and glycerophospholipids. The most familiar saccharolipids contain an acylated glucosamine. In contrast to others glycolipids, the fatty acid is not glycosidically linked to the sugar moiety. [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({4-[(4-hydroxy-2-methylidenebutanoyl)oxy]-2-methylidenebutanoyl}oxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate is found in Alstroemeria revoluta. Based on a literature review very few articles have been published on [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({4-[(4-hydroxy-2-methylidenebutanoyl)oxy]-2-methylidenebutanoyl}oxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309042210282D          

 33 33  0  0  1  0            999 V2000
    4.2868   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    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
    2.1434   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7171   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -6.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1460   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -7.4250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1460   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -7.8375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7171   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2881   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 18 28  1  0  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
 30 31  1  6  0  0  0
 30 32  1  0  0  0  0
 16 32  1  0  0  0  0
 32 33  1  1  0  0  0
M  END


  Mrv1652309042210282D          

 33 33  0  0  1  0            999 V2000
    4.2868   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    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
    2.1434   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7171   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -6.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1460   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -7.4250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1460   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -7.8375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7171   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2881   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 18 28  1  0  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
 30 31  1  6  0  0  0
 30 32  1  0  0  0  0
 16 32  1  0  0  0  0
 32 33  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0191488

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OCCC(=C)C(=O)OCCC(=C)C(=O)O[C@@H]1O[C@H](COC(=O)C(=C)CCO)[C@@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H30O12/c1-11(4-7-22)18(27)30-9-6-13(3)20(29)33-21-17(26)16(25)15(24)14(32-21)10-31-19(28)12(2)5-8-23/h14-17,21-26H,1-10H2/t14-,15-,16+,17-,21+/m1/s1

> <INCHI_KEY>
YPVGGTXGOCDLRH-IALVOCICSA-N

> <FORMULA>
C21H30O12

> <MOLECULAR_WEIGHT>
474.459

> <EXACT_MASS>
474.173726406

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_POLARIZABILITY>
46.8889486754756

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({4-[(4-hydroxy-2-methylidenebutanoyl)oxy]-2-methylidenebutanoyl}oxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate

> <JCHEM_LOGP>
-0.4299623530000004

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.207432201493905

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.197103780098699

> <JCHEM_PKA_STRONGEST_BASIC>
-2.4008381372285044

> <JCHEM_POLAR_SURFACE_AREA>
189.27999999999997

> <JCHEM_REFRACTIVITY>
109.9814

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({4-[(4-hydroxy-2-methylidenebutanoyl)oxy]-2-methylidenebutanoyl}oxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       8.002 -13.860   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.002 -12.320   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668 -11.550   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335 -12.320   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       4.001 -11.550   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       9.336 -11.550   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       9.336 -10.010   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      10.669 -12.320   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      12.003 -11.550   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      13.337 -12.320   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      14.670 -11.550   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      14.670 -10.010   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      16.004 -12.320   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      16.004 -13.860   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      17.338 -11.550   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      18.672 -12.320   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      20.005 -11.550   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      21.339 -12.320   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      22.673 -11.550   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      24.006 -12.320   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      25.340 -11.550   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      25.340 -10.010   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      26.674 -12.320   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      26.674 -13.860   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      28.007 -11.550   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      29.341 -12.320   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      30.675 -11.550   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      21.339 -13.860   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      22.673 -14.630   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      20.005 -14.630   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      20.005 -16.170   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      18.672 -13.860   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      17.338 -14.630   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    6                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4                                                            
CONECT    6    2    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   32                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   28                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26                                                            
CONECT   28   18   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   16   33                                                  
CONECT   33   32                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   66    0
END

View in JSmol

Synonyms

Value	Source
[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-({4-[(4-hydroxy-2-methylidenebutanoyl)oxy]-2-methylidenebutanoyl}oxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoic acid	Generator

Chemical Formula

C₂₁H₃₀O₁₂

Average Mass

474.4590 Da

Monoisotopic Mass

474.17373 Da

IUPAC Name

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({4-[(4-hydroxy-2-methylidenebutanoyl)oxy]-2-methylidenebutanoyl}oxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate

Traditional Name

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({4-[(4-hydroxy-2-methylidenebutanoyl)oxy]-2-methylidenebutanoyl}oxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate

CAS Registry Number

Not Available

SMILES

OCCC(=C)C(=O)OCCC(=C)C(=O)O[C@@H]1O[C@H](COC(=O)C(=C)CCO)[C@@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C21H30O12/c1-11(4-7-22)18(27)30-9-6-13(3)20(29)33-21-17(26)16(25)15(24)14(32-21)10-31-19(28)12(2)5-8-23/h14-17,21-26H,1-10H2/t14-,15-,16+,17-,21+/m1/s1

InChI Key

YPVGGTXGOCDLRH-IALVOCICSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Alstroemeria revoluta	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as saccharolipids. Saccharolipids are compounds in which fatty acids are linked directly to a sugar backbone, forming structures that are compatible with membrane bilayers. In the saccharolipids, a sugar substitutes for the glycerol backbone that is present in glycerolipids and glycerophospholipids. The most familiar saccharolipids contain an acylated glucosamine. In contrast to others glycolipids, the fatty acid is not glycosidically linked to the sugar moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Saccharolipids

Sub Class

Not Available

Direct Parent

Saccharolipids

Alternative Parents

Substituents

Saccharolipid
Tricarboxylic acid or derivatives
Fatty acid ester
Monosaccharide
Oxane
Fatty acyl
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Secondary alcohol
Acetal
Carboxylic acid derivative
Oxacycle
Polyol
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organooxygen 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	-0.43	ChemAxon
pKa (Strongest Acidic)	12.2	ChemAxon
pKa (Strongest Basic)	-2.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	189.28 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	109.98 m³·mol⁻¹	ChemAxon
Polarizability	46.89 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

162868023

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({4-[(4-hydroxy-2-methylidenebutanoyl)oxy]-2-methylidenebutanoyl}oxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate (NP0191488)

MOL for NP0191488 ([(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({4-[(4-hydroxy-2-methylidenebutanoyl)oxy]-2-methylidenebutanoyl}oxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate)

3D MOL for NP0191488 ([(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({4-[(4-hydroxy-2-methylidenebutanoyl)oxy]-2-methylidenebutanoyl}oxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate)

3D SDF for NP0191488 ([(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({4-[(4-hydroxy-2-methylidenebutanoyl)oxy]-2-methylidenebutanoyl}oxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate)

3D-SDF for NP0191488 ([(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({4-[(4-hydroxy-2-methylidenebutanoyl)oxy]-2-methylidenebutanoyl}oxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate)

PDB for NP0191488 ([(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({4-[(4-hydroxy-2-methylidenebutanoyl)oxy]-2-methylidenebutanoyl}oxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate)

3D PDB for NP0191488 ([(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({4-[(4-hydroxy-2-methylidenebutanoyl)oxy]-2-methylidenebutanoyl}oxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate)

SMILES for NP0191488 ([(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({4-[(4-hydroxy-2-methylidenebutanoyl)oxy]-2-methylidenebutanoyl}oxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate)

INCHI for NP0191488 ([(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({4-[(4-hydroxy-2-methylidenebutanoyl)oxy]-2-methylidenebutanoyl}oxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate)

Structure for NP0191488 ([(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({4-[(4-hydroxy-2-methylidenebutanoyl)oxy]-2-methylidenebutanoyl}oxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate)

3D Structure for NP0191488 ([(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-({4-[(4-hydroxy-2-methylidenebutanoyl)oxy]-2-methylidenebutanoyl}oxy)oxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate)