NP-MRD: Showing NP-Card for 26,33-bis(hydroxymethyl)-12,19-dimethoxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9,16,23,25,30,32,36,37,38-decaoxahexacyclo[29.2.2.1³,⁷.1¹⁰,¹⁴.1¹⁷,²¹.0²⁴,²⁹]octatriacontane-4,6,11,13,18,20,27,28,34,35-decol (NP0153018)

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Record Information

Version

2.0

Created at

2022-09-02 09:36:23 UTC

Updated at

2022-09-02 09:36:23 UTC

NP-MRD ID

NP0153018

Secondary Accession Numbers

None

Natural Product Identification

Common Name

26,33-bis(hydroxymethyl)-12,19-dimethoxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9,16,23,25,30,32,36,37,38-decaoxahexacyclo[29.2.2.1³,⁷.1¹⁰,¹⁴.1¹⁷,²¹.0²⁴,²⁹]octatriacontane-4,6,11,13,18,20,27,28,34,35-decol

Description

26,33-Bis(hydroxymethyl)-12,19-dimethoxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9,16,23,25,30,32,36,37,38-decaoxahexacyclo[29.2.2.1³,⁷.1¹⁰,¹⁴.1¹⁷,²¹.0²⁴,²⁹]Octatriacontane-4,6,11,13,18,20,27,28,34,35-decol belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. 26,33-bis(hydroxymethyl)-12,19-dimethoxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9,16,23,25,30,32,36,37,38-decaoxahexacyclo[29.2.2.1³,⁷.1¹⁰,¹⁴.1¹⁷,²¹.0²⁴,²⁹]octatriacontane-4,6,11,13,18,20,27,28,34,35-decol is found in Phellinus igniarius. Based on a literature review very few articles have been published on 26,33-bis(hydroxymethyl)-12,19-dimethoxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9,16,23,25,30,32,36,37,38-decaoxahexacyclo[29.2.2.1³,⁷.1¹⁰,¹⁴.1¹⁷,²¹.0²⁴,²⁹]Octatriacontane-4,6,11,13,18,20,27,28,34,35-decol.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022211362D          

 67 73  0  0  0  0            999 V2000
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M  END

     RDKit          3D

131137  0  0  0  0  0  0  0  0999 V2000
   -8.7100    3.4045    0.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5710    3.7639   -0.3403 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3315    3.8288    0.5416 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0778    4.8486   -0.3779 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1652309022211362D          

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M  END
> <DATABASE_ID>
NP0153018

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1C(O)C2COC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(COC(O2)C1O)C(O)C(OC1OC(C)C(O)C(O)C1O)C5O)C(O)C4O)C(O)C(OC)C3O

> <INCHI_IDENTIFIER>
InChI=1S/C38H64O29/c1-9-15(41)20(46)23(49)35(59-9)66-31-19(45)14-7-57-34-25(51)29(54-2)17(43)12(62-34)6-56-33-26(52)30(55-3)18(44)13(63-33)8-58-38-32(21(47)16(42)10(4-39)60-38)67-36-24(50)22(48)28(11(5-40)61-36)65-37(64-14)27(31)53/h9-53H,4-8H2,1-3H3

> <INCHI_KEY>
JUOUMVXQBLYLLZ-UHFFFAOYSA-N

> <FORMULA>
C38H64O29

> <MOLECULAR_WEIGHT>
984.901

> <EXACT_MASS>
984.353326041

> <JCHEM_ACCEPTOR_COUNT>
29

> <JCHEM_ATOM_COUNT>
131

> <JCHEM_AVERAGE_POLARIZABILITY>
93.42703984505366

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
15

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
26,33-bis(hydroxymethyl)-12,19-dimethoxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9,16,23,25,30,32,36,37,38-decaoxahexacyclo[29.2.2.1^{3,7}.1^{10,14}.1^{17,21}.0^{24,29}]octatriacontane-4,6,11,13,18,20,27,28,34,35-decol

> <ALOGPS_LOGP>
-2.08

> <JCHEM_LOGP>
-8.2918509

> <ALOGPS_LOGS>
-0.40

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.997014810842995

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.608528071361278

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6765054946735756

> <JCHEM_POLAR_SURFACE_AREA>
432.6700000000001

> <JCHEM_REFRACTIVITY>
202.4385000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.91e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
26,33-bis(hydroxymethyl)-12,19-dimethoxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9,16,23,25,30,32,36,37,38-decaoxahexacyclo[29.2.2.1^{3,7}.1^{10,14}.1^{17,21}.0^{24,29}]octatriacontane-4,6,11,13,18,20,27,28,34,35-decol

> <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      -3.221  -3.519   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -2.119  -2.443   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -0.636  -2.860   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.478  -1.782   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       0.079  -0.295   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       1.999  -2.162   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.980  -0.881   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       4.185   0.170   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       5.796   0.223   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       7.265   0.850   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       8.599  -0.010   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.190  -0.299   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      11.323  -1.417   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      12.051  -2.835   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      13.176  -1.784   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      14.649  -2.233   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      15.775  -1.181   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      17.248  -1.630   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      14.997  -3.733   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      16.470  -4.182   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      13.872  -4.784   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      14.220  -6.284   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      12.399  -4.335   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      12.281  -5.939   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      11.532  -7.352   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      11.714  -8.925   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      10.504  -9.875   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      10.723 -11.399   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       9.512 -12.351   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       9.027  -9.284   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       7.534  -9.865   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       5.962 -10.167   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       4.963  -8.971   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       3.385  -9.065   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       2.402  -7.781   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       1.686  -6.357   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       1.256  -4.828   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       2.353  -3.704   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      -0.244  -4.369   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -1.356  -5.434   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       2.810 -10.541   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       1.285 -10.752   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       3.744 -11.776   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0       3.150 -13.197   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0       1.623 -13.393   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       0.689 -12.168   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0      -0.838 -12.364   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      -1.772 -11.140   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      -1.432 -13.785   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      -2.960 -13.981   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0      -0.499 -15.010   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      -1.092 -16.431   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0       1.029 -14.814   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0       1.962 -16.039   0.000  0.00  0.00           O+0
HETATM   55  C   UNK     0       5.283 -11.572   0.000  0.00  0.00           C+0
HETATM   56  O   UNK     0       6.185 -12.820   0.000  0.00  0.00           O+0
HETATM   57  C   UNK     0       8.840  -7.728   0.000  0.00  0.00           C+0
HETATM   58  O   UNK     0       7.421  -7.128   0.000  0.00  0.00           O+0
HETATM   59  C   UNK     0      10.058  -6.798   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0       9.833  -5.275   0.000  0.00  0.00           O+0
HETATM   61  C   UNK     0       8.375  -1.557   0.000  0.00  0.00           C+0
HETATM   62  O   UNK     0       9.622  -2.460   0.000  0.00  0.00           O+0
HETATM   63  C   UNK     0       6.994  -2.244   0.000  0.00  0.00           C+0
HETATM   64  O   UNK     0       6.864  -3.778   0.000  0.00  0.00           O+0
HETATM   65  C   UNK     0       5.470  -4.433   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0       5.746  -1.334   0.000  0.00  0.00           C+0
HETATM   67  O   UNK     0       4.362  -2.009   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   39                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   38                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   66                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   61                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   23                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   19                                                  
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   16   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   14   24                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   59                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   30                                                  
CONECT   28   27   29                                                       
CONECT   29   28                                                            
CONECT   30   27   31   57                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   55                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   41                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37    6                                                       
CONECT   39   37    3   40                                                  
CONECT   40   39                                                            
CONECT   41   34   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   44   55                                                  
CONECT   44   43   45                                                       
CONECT   45   44   46   53                                                  
CONECT   46   45   47                                                       
CONECT   47   46   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49   52   53                                                  
CONECT   52   51                                                            
CONECT   53   51   45   54                                                  
CONECT   54   53                                                            
CONECT   55   43   32   56                                                  
CONECT   56   55                                                            
CONECT   57   30   58   59                                                  
CONECT   58   57                                                            
CONECT   59   57   25   60                                                  
CONECT   60   59                                                            
CONECT   61   11   62   63                                                  
CONECT   62   61                                                            
CONECT   63   61   64   66                                                  
CONECT   64   63   65                                                       
CONECT   65   64                                                            
CONECT   66   63    9   67                                                  
CONECT   67   66                                                            
MASTER        0    0    0    0    0    0    0    0   67    0  146    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₈H₆₄O₂₉

Average Mass

984.9010 Da

Monoisotopic Mass

984.35333 Da

IUPAC Name

26,33-bis(hydroxymethyl)-12,19-dimethoxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9,16,23,25,30,32,36,37,38-decaoxahexacyclo[29.2.2.1^{3,7}.1^{10,14}.1^{17,21}.0^{24,29}]octatriacontane-4,6,11,13,18,20,27,28,34,35-decol

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1C(O)C2COC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(OC5OC(COC(O2)C1O)C(O)C(OC1OC(C)C(O)C(O)C1O)C5O)C(O)C4O)C(O)C(OC)C3O

InChI Identifier

InChI=1S/C38H64O29/c1-9-15(41)20(46)23(49)35(59-9)66-31-19(45)14-7-57-34-25(51)29(54-2)17(43)12(62-34)6-56-33-26(52)30(55-3)18(44)13(63-33)8-58-38-32(21(47)16(42)10(4-39)60-38)67-36-24(50)22(48)28(11(5-40)61-36)65-37(64-14)27(31)53/h9-53H,4-8H2,1-3H3

InChI Key

JUOUMVXQBLYLLZ-UHFFFAOYSA-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

Species Name	Source	Reference
Phellinus igniarius	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Oligosaccharides

Alternative Parents

Substituents

Oligosaccharide
O-glycosyl compound
Glycosyl compound
Oxane
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Ether
Dialkyl ether
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
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
logP	-2.1	ALOGPS
logP	-8.3	ChemAxon
logS	-0.4	ALOGPS
pKa (Strongest Acidic)	11.61	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	29	ChemAxon
Hydrogen Donor Count	15	ChemAxon
Polar Surface Area	432.67 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	202.44 m³·mol⁻¹	ChemAxon
Polarizability	93.43 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

162894919

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 26,33-bis(hydroxymethyl)-12,19-dimethoxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9,16,23,25,30,32,36,37,38-decaoxahexacyclo[29.2.2.1³,⁷.1¹⁰,¹⁴.1¹⁷,²¹.0²⁴,²⁹]octatriacontane-4,6,11,13,18,20,27,28,34,35-decol (NP0153018)

MOL for NP0153018 (26,33-bis(hydroxymethyl)-12,19-dimethoxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9,16,23,25,30,32,36,37,38-decaoxahexacyclo[29.2.2.1³,⁷.1¹⁰,¹⁴.1¹⁷,²¹.0²⁴,²⁹]octatriacontane-4,6,11,13,18,20,27,28,34,35-decol)

3D MOL for NP0153018 (26,33-bis(hydroxymethyl)-12,19-dimethoxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9,16,23,25,30,32,36,37,38-decaoxahexacyclo[29.2.2.1³,⁷.1¹⁰,¹⁴.1¹⁷,²¹.0²⁴,²⁹]octatriacontane-4,6,11,13,18,20,27,28,34,35-decol)

3D SDF for NP0153018 (26,33-bis(hydroxymethyl)-12,19-dimethoxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9,16,23,25,30,32,36,37,38-decaoxahexacyclo[29.2.2.1³,⁷.1¹⁰,¹⁴.1¹⁷,²¹.0²⁴,²⁹]octatriacontane-4,6,11,13,18,20,27,28,34,35-decol)

3D-SDF for NP0153018 (26,33-bis(hydroxymethyl)-12,19-dimethoxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9,16,23,25,30,32,36,37,38-decaoxahexacyclo[29.2.2.1³,⁷.1¹⁰,¹⁴.1¹⁷,²¹.0²⁴,²⁹]octatriacontane-4,6,11,13,18,20,27,28,34,35-decol)

PDB for NP0153018 (26,33-bis(hydroxymethyl)-12,19-dimethoxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9,16,23,25,30,32,36,37,38-decaoxahexacyclo[29.2.2.1³,⁷.1¹⁰,¹⁴.1¹⁷,²¹.0²⁴,²⁹]octatriacontane-4,6,11,13,18,20,27,28,34,35-decol)

3D PDB for NP0153018 (26,33-bis(hydroxymethyl)-12,19-dimethoxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9,16,23,25,30,32,36,37,38-decaoxahexacyclo[29.2.2.1³,⁷.1¹⁰,¹⁴.1¹⁷,²¹.0²⁴,²⁹]octatriacontane-4,6,11,13,18,20,27,28,34,35-decol)

SMILES for NP0153018 (26,33-bis(hydroxymethyl)-12,19-dimethoxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9,16,23,25,30,32,36,37,38-decaoxahexacyclo[29.2.2.1³,⁷.1¹⁰,¹⁴.1¹⁷,²¹.0²⁴,²⁹]octatriacontane-4,6,11,13,18,20,27,28,34,35-decol)

INCHI for NP0153018 (26,33-bis(hydroxymethyl)-12,19-dimethoxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9,16,23,25,30,32,36,37,38-decaoxahexacyclo[29.2.2.1³,⁷.1¹⁰,¹⁴.1¹⁷,²¹.0²⁴,²⁹]octatriacontane-4,6,11,13,18,20,27,28,34,35-decol)

Structure for NP0153018 (26,33-bis(hydroxymethyl)-12,19-dimethoxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9,16,23,25,30,32,36,37,38-decaoxahexacyclo[29.2.2.1³,⁷.1¹⁰,¹⁴.1¹⁷,²¹.0²⁴,²⁹]octatriacontane-4,6,11,13,18,20,27,28,34,35-decol)

3D Structure for NP0153018 (26,33-bis(hydroxymethyl)-12,19-dimethoxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2,9,16,23,25,30,32,36,37,38-decaoxahexacyclo[29.2.2.1³,⁷.1¹⁰,¹⁴.1¹⁷,²¹.0²⁴,²⁹]octatriacontane-4,6,11,13,18,20,27,28,34,35-decol)