NP-MRD: Showing NP-Card for (2r,3s)-1-(acetyloxy)-6-[(1r,2s,3r,4s,7r,8r,13r,14r)-4-[(4r,5s)-6-(acetyloxy)-4-hydroxy-4-methyl-5-[(3-methylbutanoyl)oxy]hexyl]-1,4,7,14-tetrahydroxy-8,13-dimethyl-2,3-bis(2-methylpropyl)cyclohexadecyl]-3-hydroxy-3-methylhexan-2-yl (2r)-2-methylbutanoate (NP0231428)

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Record Information

Version

2.0

Created at

2022-09-06 12:17:05 UTC

Updated at

2022-09-06 12:17:06 UTC

NP-MRD ID

NP0231428

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,3s)-1-(acetyloxy)-6-[(1r,2s,3r,4s,7r,8r,13r,14r)-4-[(4r,5s)-6-(acetyloxy)-4-hydroxy-4-methyl-5-[(3-methylbutanoyl)oxy]hexyl]-1,4,7,14-tetrahydroxy-8,13-dimethyl-2,3-bis(2-methylpropyl)cyclohexadecyl]-3-hydroxy-3-methylhexan-2-yl (2r)-2-methylbutanoate

Description

(2R,3S)-1-(acetyloxy)-6-[(1R,2S,3R,4S,7R,8R,13R,14R)-4-[(4R,5S)-6-(acetyloxy)-4-hydroxy-4-methyl-5-[(3-methylbutanoyl)oxy]hexyl]-1,4,7,14-tetrahydroxy-8,13-dimethyl-2,3-bis(2-methylpropyl)cyclohexadecyl]-3-hydroxy-3-methylhexan-2-yl (2R)-2-methylbutanoate belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Based on a literature review very few articles have been published on (2R,3S)-1-(acetyloxy)-6-[(1R,2S,3R,4S,7R,8R,13R,14R)-4-[(4R,5S)-6-(acetyloxy)-4-hydroxy-4-methyl-5-[(3-methylbutanoyl)oxy]hexyl]-1,4,7,14-tetrahydroxy-8,13-dimethyl-2,3-bis(2-methylpropyl)cyclohexadecyl]-3-hydroxy-3-methylhexan-2-yl (2R)-2-methylbutanoate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309062214172D          

 68 68  0  0  1  0            999 V2000
   -3.6213    4.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652309062214172D          

 68 68  0  0  1  0            999 V2000
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 56 58  1  0  0  0  0
 38 59  1  0  0  0  0
 59 60  1  6  0  0  0
 60 61  1  0  0  0  0
 61 62  1  0  0  0  0
 61 63  1  0  0  0  0
 59 64  1  0  0  0  0
 20 64  1  0  0  0  0
 64 65  1  6  0  0  0
 65 66  1  0  0  0  0
 66 67  1  0  0  0  0
 66 68  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0231428

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@@H](C)C(=O)O[C@H](COC(C)=O)[C@@](C)(O)CCC[C@@]1(O)CC[C@@H](O)[C@H](C)CCCC[C@@H](C)[C@H](O)CC[C@@](O)(CCC[C@@](C)(O)[C@H](COC(C)=O)OC(=O)CC(C)C)[C@H](CC(C)C)[C@@H]1CC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C54H100O14/c1-15-38(8)50(60)68-48(34-66-42(12)56)52(14,62)25-19-27-54(64)29-23-46(58)40(10)21-17-16-20-39(9)45(57)22-28-53(63,43(30-35(2)3)44(54)31-36(4)5)26-18-24-51(13,61)47(33-65-41(11)55)67-49(59)32-37(6)7/h35-40,43-48,57-58,61-64H,15-34H2,1-14H3/t38-,39-,40-,43-,44+,45-,46-,47+,48-,51-,52+,53+,54-/m1/s1

> <INCHI_KEY>
AECOBYGDMOOWOM-IYKSSPBFSA-N

> <FORMULA>
C54H100O14

> <MOLECULAR_WEIGHT>
973.38

> <EXACT_MASS>
972.7113079

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
168

> <JCHEM_AVERAGE_POLARIZABILITY>
111.67420592148886

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S)-1-(acetyloxy)-6-[(1R,2S,3R,4S,7R,8R,13R,14R)-4-[(4R,5S)-6-(acetyloxy)-4-hydroxy-4-methyl-5-[(3-methylbutanoyl)oxy]hexyl]-1,4,7,14-tetrahydroxy-8,13-dimethyl-2,3-bis(2-methylpropyl)cyclohexadecyl]-3-hydroxy-3-methylhexan-2-yl (2R)-2-methylbutanoate

> <JCHEM_LOGP>
8.814073851999996

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.971314823972342

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.52149982813934

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8185636140156216

> <JCHEM_POLAR_SURFACE_AREA>
226.57999999999996

> <JCHEM_REFRACTIVITY>
263.57870000000014

> <JCHEM_ROTATABLE_BOND_COUNT>
28

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S)-1-(acetyloxy)-6-[(1R,2S,3R,4S,7R,8R,13R,14R)-4-[(4R,5S)-6-(acetyloxy)-4-hydroxy-4-methyl-5-[(3-methylbutanoyl)oxy]hexyl]-1,4,7,14-tetrahydroxy-8,13-dimethyl-2,3-bis(2-methylpropyl)cyclohexadecyl]-3-hydroxy-3-methylhexan-2-yl (2R)-2-methylbutanoate

> <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      -6.760   8.496   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.596   7.488   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.140   7.992   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.849   9.504   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.976   6.984   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -3.267   5.472   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      -1.521   7.488   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -0.357   6.480   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.648   4.968   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       0.516   3.959   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       0.225   2.447   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.230   1.943   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       1.389   1.439   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       1.098   6.984   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.602   5.529   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       0.594   8.439   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       2.553   7.488   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.844   9.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.300   9.504   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.591  11.017   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       5.340   9.671   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       3.396  10.045   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.957  10.594   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.713  12.115   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       0.274  12.664   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       2.908  13.086   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.347  12.537   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.664  14.607   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       3.859  15.578   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.616  17.099   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.811  18.070   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       6.249  17.521   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.444  18.492   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       6.493  16.000   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       5.298  15.029   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       7.932  15.451   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       8.176  13.931   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       6.981  12.959   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       8.145  11.951   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       8.520  12.935   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       9.311  14.257   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      10.851  14.233   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      11.642  15.554   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      12.963  14.764   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      10.320  16.345   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      12.432  16.876   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      13.972  16.852   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      14.721  15.506   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0      16.261  15.482   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      17.052  16.804   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0      17.010  14.137   0.000  0.00  0.00           O+0
HETATM   52  O   UNK     0      11.683  18.221   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0      12.474  19.543   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0      14.014  19.519   0.000  0.00  0.00           O+0
HETATM   55  C   UNK     0      11.725  20.888   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      12.515  22.210   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      11.766  23.555   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      14.055  22.186   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0       7.224  11.439   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0       8.663  10.889   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0       8.907   9.369   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      10.346   8.820   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0       7.712   8.398   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0       6.029  10.467   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0       6.273   8.947   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0       5.078   7.975   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0       5.322   6.455   0.000  0.00  0.00           C+0
HETATM   68  C   UNK     0       3.639   8.525   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    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   14                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14    8   15   16   17                                             
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   14   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22   64                                             
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   40   59                                             
CONECT   39   38                                                            
CONECT   40   38   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44   45   46                                             
CONECT   44   43                                                            
CONECT   45   43                                                            
CONECT   46   43   47   52                                                  
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49                                                            
CONECT   52   46   53                                                       
CONECT   53   52   54   55                                                  
CONECT   54   53                                                            
CONECT   55   53   56                                                       
CONECT   56   55   57   58                                                  
CONECT   57   56                                                            
CONECT   58   56                                                            
CONECT   59   38   60   64                                                  
CONECT   60   59   61                                                       
CONECT   61   60   62   63                                                  
CONECT   62   61                                                            
CONECT   63   61                                                            
CONECT   64   59   20   65                                                  
CONECT   65   64   66                                                       
CONECT   66   65   67   68                                                  
CONECT   67   66                                                            
CONECT   68   66                                                            
MASTER        0    0    0    0    0    0    0    0   68    0  136    0
END

View in JSmol

Synonyms

Value	Source
(2R,3S)-1-(Acetyloxy)-6-[(1R,2S,3R,4S,7R,8R,13R,14R)-4-[(4R,5S)-6-(acetyloxy)-4-hydroxy-4-methyl-5-[(3-methylbutanoyl)oxy]hexyl]-1,4,7,14-tetrahydroxy-8,13-dimethyl-2,3-bis(2-methylpropyl)cyclohexadecyl]-3-hydroxy-3-methylhexan-2-yl (2R)-2-methylbutanoic acid	Generator

Chemical Formula

C₅₄H₁₀₀O₁₄

Average Mass

973.3800 Da

Monoisotopic Mass

972.71131 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

CC[C@@H](C)C(=O)O[C@H](COC(C)=O)[C@@](C)(O)CCC[C@@]1(O)CC[C@@H](O)[C@H](C)CCCC[C@@H](C)[C@H](O)CC[C@@](O)(CCC[C@@](C)(O)[C@H](COC(C)=O)OC(=O)CC(C)C)[C@H](CC(C)C)[C@@H]1CC(C)C

InChI Identifier

InChI=1S/C54H100O14/c1-15-38(8)50(60)68-48(34-66-42(12)56)52(14,62)25-19-27-54(64)29-23-46(58)40(10)21-17-16-20-39(9)45(57)22-28-53(63,43(30-35(2)3)44(54)31-36(4)5)26-18-24-51(13,61)47(33-65-41(11)55)67-49(59)32-37(6)7/h35-40,43-48,57-58,61-64H,15-34H2,1-14H3/t38-,39-,40-,43-,44+,45-,46-,47+,48-,51-,52+,53+,54-/m1/s1

InChI Key

AECOBYGDMOOWOM-IYKSSPBFSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Tetracarboxylic acid or derivatives
Fatty acid ester
Fatty acyl
Tertiary alcohol
Carboxylic acid ester
Secondary alcohol
Polyol
Carboxylic acid derivative
Organooxygen compound
Organic oxygen compound
Alcohol
Carbonyl group
Organic oxide
Hydrocarbon derivative
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic 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	8.81	ChemAxon
pKa (Strongest Acidic)	13.52	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	226.58 Å²	ChemAxon
Rotatable Bond Count	28	ChemAxon
Refractivity	263.58 m³·mol⁻¹	ChemAxon
Polarizability	111.67 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	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

162942449

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)-1-(acetyloxy)-6-[(1r,2s,3r,4s,7r,8r,13r,14r)-4-[(4r,5s)-6-(acetyloxy)-4-hydroxy-4-methyl-5-[(3-methylbutanoyl)oxy]hexyl]-1,4,7,14-tetrahydroxy-8,13-dimethyl-2,3-bis(2-methylpropyl)cyclohexadecyl]-3-hydroxy-3-methylhexan-2-yl (2r)-2-methylbutanoate (NP0231428)

MOL for NP0231428 ((2r,3s)-1-(acetyloxy)-6-[(1r,2s,3r,4s,7r,8r,13r,14r)-4-[(4r,5s)-6-(acetyloxy)-4-hydroxy-4-methyl-5-[(3-methylbutanoyl)oxy]hexyl]-1,4,7,14-tetrahydroxy-8,13-dimethyl-2,3-bis(2-methylpropyl)cyclohexadecyl]-3-hydroxy-3-methylhexan-2-yl (2r)-2-methylbutanoate)

3D MOL for NP0231428 ((2r,3s)-1-(acetyloxy)-6-[(1r,2s,3r,4s,7r,8r,13r,14r)-4-[(4r,5s)-6-(acetyloxy)-4-hydroxy-4-methyl-5-[(3-methylbutanoyl)oxy]hexyl]-1,4,7,14-tetrahydroxy-8,13-dimethyl-2,3-bis(2-methylpropyl)cyclohexadecyl]-3-hydroxy-3-methylhexan-2-yl (2r)-2-methylbutanoate)

3D SDF for NP0231428 ((2r,3s)-1-(acetyloxy)-6-[(1r,2s,3r,4s,7r,8r,13r,14r)-4-[(4r,5s)-6-(acetyloxy)-4-hydroxy-4-methyl-5-[(3-methylbutanoyl)oxy]hexyl]-1,4,7,14-tetrahydroxy-8,13-dimethyl-2,3-bis(2-methylpropyl)cyclohexadecyl]-3-hydroxy-3-methylhexan-2-yl (2r)-2-methylbutanoate)

3D-SDF for NP0231428 ((2r,3s)-1-(acetyloxy)-6-[(1r,2s,3r,4s,7r,8r,13r,14r)-4-[(4r,5s)-6-(acetyloxy)-4-hydroxy-4-methyl-5-[(3-methylbutanoyl)oxy]hexyl]-1,4,7,14-tetrahydroxy-8,13-dimethyl-2,3-bis(2-methylpropyl)cyclohexadecyl]-3-hydroxy-3-methylhexan-2-yl (2r)-2-methylbutanoate)

PDB for NP0231428 ((2r,3s)-1-(acetyloxy)-6-[(1r,2s,3r,4s,7r,8r,13r,14r)-4-[(4r,5s)-6-(acetyloxy)-4-hydroxy-4-methyl-5-[(3-methylbutanoyl)oxy]hexyl]-1,4,7,14-tetrahydroxy-8,13-dimethyl-2,3-bis(2-methylpropyl)cyclohexadecyl]-3-hydroxy-3-methylhexan-2-yl (2r)-2-methylbutanoate)

3D PDB for NP0231428 ((2r,3s)-1-(acetyloxy)-6-[(1r,2s,3r,4s,7r,8r,13r,14r)-4-[(4r,5s)-6-(acetyloxy)-4-hydroxy-4-methyl-5-[(3-methylbutanoyl)oxy]hexyl]-1,4,7,14-tetrahydroxy-8,13-dimethyl-2,3-bis(2-methylpropyl)cyclohexadecyl]-3-hydroxy-3-methylhexan-2-yl (2r)-2-methylbutanoate)

SMILES for NP0231428 ((2r,3s)-1-(acetyloxy)-6-[(1r,2s,3r,4s,7r,8r,13r,14r)-4-[(4r,5s)-6-(acetyloxy)-4-hydroxy-4-methyl-5-[(3-methylbutanoyl)oxy]hexyl]-1,4,7,14-tetrahydroxy-8,13-dimethyl-2,3-bis(2-methylpropyl)cyclohexadecyl]-3-hydroxy-3-methylhexan-2-yl (2r)-2-methylbutanoate)

INCHI for NP0231428 ((2r,3s)-1-(acetyloxy)-6-[(1r,2s,3r,4s,7r,8r,13r,14r)-4-[(4r,5s)-6-(acetyloxy)-4-hydroxy-4-methyl-5-[(3-methylbutanoyl)oxy]hexyl]-1,4,7,14-tetrahydroxy-8,13-dimethyl-2,3-bis(2-methylpropyl)cyclohexadecyl]-3-hydroxy-3-methylhexan-2-yl (2r)-2-methylbutanoate)

Structure for NP0231428 ((2r,3s)-1-(acetyloxy)-6-[(1r,2s,3r,4s,7r,8r,13r,14r)-4-[(4r,5s)-6-(acetyloxy)-4-hydroxy-4-methyl-5-[(3-methylbutanoyl)oxy]hexyl]-1,4,7,14-tetrahydroxy-8,13-dimethyl-2,3-bis(2-methylpropyl)cyclohexadecyl]-3-hydroxy-3-methylhexan-2-yl (2r)-2-methylbutanoate)

3D Structure for NP0231428 ((2r,3s)-1-(acetyloxy)-6-[(1r,2s,3r,4s,7r,8r,13r,14r)-4-[(4r,5s)-6-(acetyloxy)-4-hydroxy-4-methyl-5-[(3-methylbutanoyl)oxy]hexyl]-1,4,7,14-tetrahydroxy-8,13-dimethyl-2,3-bis(2-methylpropyl)cyclohexadecyl]-3-hydroxy-3-methylhexan-2-yl (2r)-2-methylbutanoate)