NP-MRD: Showing NP-Card for 50-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylhexyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one (NP0184868)

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Record Information

Version

1.0

Created at

2022-09-04 00:06:28 UTC

Updated at

2022-09-04 00:06:28 UTC

NP-MRD ID

NP0184868

Secondary Accession Numbers

None

Natural Product Identification

Common Name

50-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylhexyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one

Description

50-{[4-(Dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylhexyl)-4,52-dioxabicyclo[46.3.1]Dopentaconta-6,30,42,44-tetraen-3-one belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars. Based on a literature review very few articles have been published on 50-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylhexyl)-4,52-dioxabicyclo[46.3.1]Dopentaconta-6,30,42,44-tetraen-3-one.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309042202062D          

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M  END


  Mrv1652309042202062D          

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M  END
> <DATABASE_ID>
NP0184868

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(C)CCCC1C=C(C)C(O)CC(O)CCCC(O)C(C)C(O)CC=CC=C(C)C(O)C(C)C2CC(OC3OC(C)C(O)C(C3O)N(C)C)C(C)C(O)(CC(=O)OC(C)C=CC(O)CC(O)CCCC(O)C(C)C(O)CCC(C)C(O)CC(O)CC(O)CCC(O)C1O)O2

> <INCHI_IDENTIFIER>
InChI=1S/C73H133NO22/c1-14-41(2)20-17-22-51-34-44(5)63(86)37-53(76)24-19-27-58(81)46(7)57(80)25-16-15-21-43(4)68(88)48(9)64-39-65(95-72-71(91)67(74(12)13)69(89)50(11)94-72)49(10)73(92,96-64)40-66(87)93-45(6)29-30-54(77)35-52(75)23-18-26-59(82)47(8)60(83)32-28-42(3)62(85)38-56(79)36-55(78)31-33-61(84)70(51)90/h15-16,21,29-30,34,41-42,45-65,67-72,75-86,88-92H,14,17-20,22-28,31-33,35-40H2,1-13H3

> <INCHI_KEY>
SZXUZQODGAKEAQ-UHFFFAOYSA-N

> <FORMULA>
C73H133NO22

> <MOLECULAR_WEIGHT>
1376.852

> <EXACT_MASS>
1375.931924927

> <JCHEM_ACCEPTOR_COUNT>
22

> <JCHEM_ATOM_COUNT>
229

> <JCHEM_AVERAGE_POLARIZABILITY>
156.0242855395982

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
17

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
50-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylhexyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one

> <JCHEM_LOGP>
3.1364264323333355

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.65245225162926

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.471142790287347

> <JCHEM_PKA_STRONGEST_BASIC>
8.636480651303426

> <JCHEM_POLAR_SURFACE_AREA>
401.1400000000001

> <JCHEM_REFRACTIVITY>
370.82359999999983

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
50-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylhexyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one

> <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      -6.673  -6.093   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.340  -5.323   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.006  -6.093   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.006  -7.633   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.672  -5.323   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.339  -6.093   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.005  -5.323   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.329  -6.093   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.183  -4.811   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.193  -3.650   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.099  -2.566   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.344  -2.626   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       3.397  -1.412   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       5.617  -1.759   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.990  -1.061   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       6.381   0.354   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       8.441  -0.545   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.946  -0.218   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.480  -0.087   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      13.019  -0.153   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      13.183   1.379   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      14.536  -0.415   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      14.895   1.083   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      16.008  -0.869   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      16.555   0.571   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      17.409  -1.507   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      18.717  -2.319   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      19.911  -3.292   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      20.971  -4.410   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      21.878  -5.654   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      23.178  -4.828   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      22.620  -7.004   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      24.014  -6.350   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      23.182  -8.437   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      24.649  -7.968   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      23.557  -9.931   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      25.095  -9.849   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      25.935 -11.139   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      27.473 -11.057   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      28.313 -12.348   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      27.615 -13.721   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      28.455 -15.011   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      27.758 -16.384   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      29.993 -14.929   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      30.833 -16.220   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      30.691 -13.556   0.000  0.00  0.00           C+0
HETATM   47  N   UNK     0      32.229 -13.474   0.000  0.00  0.00           N+0
HETATM   48  C   UNK     0      32.926 -12.101   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      33.069 -14.765   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      29.851 -12.266   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0      30.548 -10.893   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0      25.237 -12.512   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      26.077 -13.803   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      23.700 -12.594   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0      24.763 -13.708   0.000  0.00  0.00           O+0
HETATM   56  C   UNK     0      23.508 -14.525   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      23.101 -16.011   0.000  0.00  0.00           C+0
HETATM   58  O   UNK     0      24.558 -16.512   0.000  0.00  0.00           O+0
HETATM   59  O   UNK     0      22.508 -17.432   0.000  0.00  0.00           O+0
HETATM   60  C   UNK     0      21.738 -18.766   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      23.020 -19.619   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      20.804 -19.990   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      19.721 -21.085   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      18.507 -22.032   0.000  0.00  0.00           C+0
HETATM   65  O   UNK     0      19.374 -23.304   0.000  0.00  0.00           O+0
HETATM   66  C   UNK     0      17.181 -22.816   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0      15.767 -23.424   0.000  0.00  0.00           C+0
HETATM   68  O   UNK     0      16.283 -24.875   0.000  0.00  0.00           O+0
HETATM   69  C   UNK     0      14.286 -23.847   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0      12.763 -24.076   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0      11.223 -24.109   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0       9.692 -23.945   0.000  0.00  0.00           C+0
HETATM   73  O   UNK     0       9.430 -25.462   0.000  0.00  0.00           O+0
HETATM   74  C   UNK     0       8.194 -23.586   0.000  0.00  0.00           C+0
HETATM   75  C   UNK     0       7.740 -25.058   0.000  0.00  0.00           C+0
HETATM   76  C   UNK     0       6.755 -23.039   0.000  0.00  0.00           C+0
HETATM   77  O   UNK     0       6.117 -24.440   0.000  0.00  0.00           O+0
HETATM   78  C   UNK     0       5.397 -22.312   0.000  0.00  0.00           C+0
HETATM   79  C   UNK     0       4.144 -21.418   0.000  0.00  0.00           C+0
HETATM   80  C   UNK     0       3.015 -20.370   0.000  0.00  0.00           C+0
HETATM   81  C   UNK     0       1.897 -21.430   0.000  0.00  0.00           C+0
HETATM   82  C   UNK     0       2.029 -19.187   0.000  0.00  0.00           C+0
HETATM   83  O   UNK     0       0.785 -20.095   0.000  0.00  0.00           O+0
HETATM   84  C   UNK     0       1.203 -17.887   0.000  0.00  0.00           C+0
HETATM   85  C   UNK     0       0.549 -16.493   0.000  0.00  0.00           C+0
HETATM   86  O   UNK     0      -0.884 -17.055   0.000  0.00  0.00           O+0
HETATM   87  C   UNK     0       0.080 -15.026   0.000  0.00  0.00           C+0
HETATM   88  C   UNK     0      -0.198 -13.511   0.000  0.00  0.00           C+0
HETATM   89  O   UNK     0      -1.728 -13.692   0.000  0.00  0.00           O+0
HETATM   90  C   UNK     0      -0.281 -11.974   0.000  0.00  0.00           C+0
HETATM   91  C   UNK     0      -0.166 -10.438   0.000  0.00  0.00           C+0
HETATM   92  C   UNK     0       0.145  -8.930   0.000  0.00  0.00           C+0
HETATM   93  O   UNK     0      -1.340  -8.523   0.000  0.00  0.00           O+0
HETATM   94  C   UNK     0       0.646  -7.473   0.000  0.00  0.00           C+0
HETATM   95  O   UNK     0      -0.775  -6.880   0.000  0.00  0.00           O+0
HETATM   96  O   UNK     0      22.859 -11.304   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   94                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   96                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39   52                                                  
CONECT   39   38   40                                                       
CONECT   40   39   41   50                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44   47   50                                                  
CONECT   47   46   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47                                                            
CONECT   50   46   40   51                                                  
CONECT   51   50                                                            
CONECT   52   38   53   54                                                  
CONECT   53   52                                                            
CONECT   54   52   55   56   96                                             
CONECT   55   54                                                            
CONECT   56   54   57                                                       
CONECT   57   56   58   59                                                  
CONECT   58   57                                                            
CONECT   59   57   60                                                       
CONECT   60   59   61   62                                                  
CONECT   61   60                                                            
CONECT   62   60   63                                                       
CONECT   63   62   64                                                       
CONECT   64   63   65   66                                                  
CONECT   65   64                                                            
CONECT   66   64   67                                                       
CONECT   67   66   68   69                                                  
CONECT   68   67                                                            
CONECT   69   67   70                                                       
CONECT   70   69   71                                                       
CONECT   71   70   72                                                       
CONECT   72   71   73   74                                                  
CONECT   73   72                                                            
CONECT   74   72   75   76                                                  
CONECT   75   74                                                            
CONECT   76   74   77   78                                                  
CONECT   77   76                                                            
CONECT   78   76   79                                                       
CONECT   79   78   80                                                       
CONECT   80   79   81   82                                                  
CONECT   81   80                                                            
CONECT   82   80   83   84                                                  
CONECT   83   82                                                            
CONECT   84   82   85                                                       
CONECT   85   84   86   87                                                  
CONECT   86   85                                                            
CONECT   87   85   88                                                       
CONECT   88   87   89   90                                                  
CONECT   89   88                                                            
CONECT   90   88   91                                                       
CONECT   91   90   92                                                       
CONECT   92   91   93   94                                                  
CONECT   93   92                                                            
CONECT   94   92    8   95                                                  
CONECT   95   94                                                            
CONECT   96   54   36                                                       
MASTER        0    0    0    0    0    0    0    0   96    0  196    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₇₃H₁₃₃NO₂₂

Average Mass

1376.8520 Da

Monoisotopic Mass

1375.93192 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCC(C)CCCC1C=C(C)C(O)CC(O)CCCC(O)C(C)C(O)CC=CC=C(C)C(O)C(C)C2CC(OC3OC(C)C(O)C(C3O)N(C)C)C(C)C(O)(CC(=O)OC(C)C=CC(O)CC(O)CCCC(O)C(C)C(O)CCC(C)C(O)CC(O)CC(O)CCC(O)C1O)O2

InChI Identifier

InChI=1S/C73H133NO22/c1-14-41(2)20-17-22-51-34-44(5)63(86)37-53(76)24-19-27-58(81)46(7)57(80)25-16-15-21-43(4)68(88)48(9)64-39-65(95-72-71(91)67(74(12)13)69(89)50(11)94-72)49(10)73(92,96-64)40-66(87)93-45(6)29-30-54(77)35-52(75)23-18-26-59(82)47(8)60(83)32-28-42(3)62(85)38-56(79)36-55(78)31-33-61(84)70(51)90/h15-16,21,29-30,34,41-42,45-65,67-72,75-86,88-92H,14,17-20,22-28,31-33,35-40H2,1-13H3

InChI Key

SZXUZQODGAKEAQ-UHFFFAOYSA-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 aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Aminoglycosides

Alternative Parents

Substituents

Aminoglycoside core
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Oxane
Monosaccharide
1,2-aminoalcohol
Amino acid or derivatives
Carboxylic acid ester
Hemiacetal
Tertiary aliphatic amine
Tertiary amine
Secondary alcohol
Lactone
Acetal
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Polyol
Monocarboxylic acid or derivatives
Organic nitrogen compound
Carbonyl group
Organic oxide
Hydrocarbon derivative
Alcohol
Amine
Organonitrogen compound
Organopnictogen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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

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

75310644

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 50-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylhexyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one (NP0184868)

MOL for NP0184868 (50-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylhexyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one)

3D MOL for NP0184868 (50-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylhexyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one)

3D SDF for NP0184868 (50-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylhexyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one)

3D-SDF for NP0184868 (50-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylhexyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one)

PDB for NP0184868 (50-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylhexyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one)

3D PDB for NP0184868 (50-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylhexyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one)

SMILES for NP0184868 (50-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylhexyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one)

INCHI for NP0184868 (50-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylhexyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one)

Structure for NP0184868 (50-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylhexyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one)

3D Structure for NP0184868 (50-{[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylhexyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one)