NP-MRD: Showing NP-Card for (-)-Cleistetroside 2 (NP0076329)

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Record Information

Version

2.0

Created at

2022-04-28 21:28:55 UTC

Updated at

2022-04-28 21:28:55 UTC

NP-MRD ID

NP0076329

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-Cleistetroside 2

Description

(2S,3R,4S,5R,6S)-6-{[(2S,3R,4R,5S,6S)-3,5-bis(acetyloxy)-2-{[(2S,3S,4S,5R,6S)-3-(acetyloxy)-6-{[(2S,3R,4R,5R,6R)-6-(dodecyloxy)-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-5-hydroxy-2-methyloxan-4-yl]oxy}-6-methyloxan-4-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetate 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. (-)-Cleistetroside 2 is found in Cleistopholis patens. Based on a literature review very few articles have been published on (2S,3R,4S,5R,6S)-6-{[(2S,3R,4R,5S,6S)-3,5-bis(acetyloxy)-2-{[(2S,3S,4S,5R,6S)-3-(acetyloxy)-6-{[(2S,3R,4R,5R,6R)-6-(dodecyloxy)-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-5-hydroxy-2-methyloxan-4-yl]oxy}-6-methyloxan-4-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282223282D          

 65 68  0  0  1  0            999 V2000
    4.2868   -9.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5724   -9.4875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  1  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
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  6  0  0  0
  5  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 13 14  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  3 21  1  6  0  0  0
  2 22  1  1  0  0  0
 23 22  1  1  0  0  0
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 61 62  2  0  0  0  0
 61 63  1  0  0  0  0
 24 64  1  6  0  0  0
  1 65  1  1  0  0  0
M  END

     RDKit          3D

139142  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652304282223282D          

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M  END
> <DATABASE_ID>
NP0076329

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCO[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC(C)=O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]4O)[C@H]3OC(C)=O)[C@H]2O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C44H74O21/c1-10-11-12-13-14-15-16-17-18-19-20-54-41-31(51)29(49)35(22(3)55-41)63-43-33(53)38(36(23(4)57-43)60-26(7)46)64-44-40(62-28(9)48)39(37(24(5)58-44)61-27(8)47)65-42-32(52)30(50)34(21(2)56-42)59-25(6)45/h21-24,29-44,49-53H,10-20H2,1-9H3/t21-,22-,23-,24-,29+,30-,31+,32+,33+,34-,35-,36-,37-,38-,39+,40+,41+,42-,43-,44-/m0/s1

> <INCHI_KEY>
LWOBLAUKUYVZAM-BGGLTTEISA-N

> <FORMULA>
C44H74O21

> <MOLECULAR_WEIGHT>
939.055

> <EXACT_MASS>
938.472259403

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_ATOM_COUNT>
139

> <JCHEM_AVERAGE_POLARIZABILITY>
100.18242259091637

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4S,5R,6S)-4-{[(2S,3R,4R,5S,6S)-3,5-bis(acetyloxy)-4-{[(2S,3R,4S,5R,6S)-5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-{[(2S,3R,4R,5R,6R)-6-(dodecyloxy)-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-5-hydroxy-2-methyloxan-3-yl acetate

> <ALOGPS_LOGP>
3.10

> <JCHEM_LOGP>
3.2306701913333327

> <ALOGPS_LOGS>
-3.76

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.294084375110232

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.823194982021635

> <JCHEM_PKA_STRONGEST_BASIC>
-3.683360094720725

> <JCHEM_POLAR_SURFACE_AREA>
280.18999999999994

> <JCHEM_REFRACTIVITY>
219.02730000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
26

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.63e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4S,5R,6S)-4-{[(2S,3R,4R,5S,6S)-3,5-bis(acetyloxy)-4-{[(2S,3R,4S,5R,6S)-5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-{[(2S,3R,4R,5R,6R)-6-(dodecyloxy)-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-5-hydroxy-2-methyloxan-3-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0       8.002 -18.480   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.668 -17.710   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668 -16.170   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       8.002 -15.400   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       9.336 -16.170   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.336 -17.710   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      10.669 -18.480   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      10.669 -15.400   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      12.003 -16.170   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      13.337 -15.400   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      14.670 -16.170   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      16.004 -15.400   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      17.338 -16.170   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      18.672 -15.400   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      20.005 -16.170   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      21.339 -15.400   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      22.673 -16.170   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      24.006 -15.400   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      25.340 -16.170   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      26.674 -15.400   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.335 -15.400   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       5.335 -18.480   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       4.001 -17.710   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.667 -18.480   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.334 -17.710   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       0.000 -18.480   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -1.334 -17.710   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -2.667 -18.480   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -4.001 -17.710   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -5.335 -18.480   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -6.668 -17.710   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -8.002 -18.480   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -9.336 -17.710   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0     -10.669 -18.480   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -9.336 -16.170   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -8.002 -15.400   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -6.668 -16.170   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      -8.002 -13.860   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0     -10.669 -15.400   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0     -10.669 -13.860   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0     -12.003 -13.090   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -9.336 -13.090   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      -8.002 -20.020   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      -4.001 -16.170   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -2.667 -15.400   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0      -1.334 -16.170   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0      -2.667 -13.860   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      -5.335 -15.400   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0      -5.335 -13.860   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      -6.668 -13.090   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0      -4.001 -13.090   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      -2.667 -20.020   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0      -1.334 -20.790   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0       0.000 -20.020   0.000  0.00  0.00           O+0
HETATM   55  C   UNK     0      -1.334 -22.330   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       1.334 -16.170   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0       2.667 -15.400   0.000  0.00  0.00           C+0
HETATM   58  O   UNK     0       4.001 -16.170   0.000  0.00  0.00           O+0
HETATM   59  C   UNK     0       2.667 -13.860   0.000  0.00  0.00           C+0
HETATM   60  O   UNK     0       0.000 -15.400   0.000  0.00  0.00           O+0
HETATM   61  C   UNK     0       0.000 -13.860   0.000  0.00  0.00           C+0
HETATM   62  O   UNK     0      -1.334 -13.090   0.000  0.00  0.00           O+0
HETATM   63  C   UNK     0       1.334 -13.090   0.000  0.00  0.00           C+0
HETATM   64  O   UNK     0       2.667 -20.020   0.000  0.00  0.00           O+0
HETATM   65  O   UNK     0       8.002 -20.020   0.000  0.00  0.00           O+0
CONECT    1    2    6   65                                                  
CONECT    2    1    3   22                                                  
CONECT    3    2    4   21                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    5    1    7                                                  
CONECT    7    6                                                            
CONECT    8    5    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19                                                            
CONECT   21    3                                                            
CONECT   22    2   23                                                       
CONECT   23   22   24   58                                                  
CONECT   24   23   25   64                                                  
CONECT   25   24   26   56                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   46                                                  
CONECT   28   27   29   52                                                  
CONECT   29   28   30   44                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   37                                                  
CONECT   32   31   33   43                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   39                                                  
CONECT   36   35   37   38                                                  
CONECT   37   36   31                                                       
CONECT   38   36                                                            
CONECT   39   35   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40                                                            
CONECT   43   32                                                            
CONECT   44   29   45   48                                                  
CONECT   45   44   46   47                                                  
CONECT   46   45   27                                                       
CONECT   47   45                                                            
CONECT   48   44   49                                                       
CONECT   49   48   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49                                                            
CONECT   52   28   53                                                       
CONECT   53   52   54   55                                                  
CONECT   54   53                                                            
CONECT   55   53                                                            
CONECT   56   25   57   60                                                  
CONECT   57   56   58   59                                                  
CONECT   58   57   23                                                       
CONECT   59   57                                                            
CONECT   60   56   61                                                       
CONECT   61   60   62   63                                                  
CONECT   62   61                                                            
CONECT   63   61                                                            
CONECT   64   24                                                            
CONECT   65    1                                                            
MASTER        0    0    0    0    0    0    0    0   65    0  136    0
END

View in JSmol

Synonyms

Value	Source
(2S,3R,4S,5R,6S)-6-{[(2S,3R,4R,5S,6S)-3,5-bis(acetyloxy)-2-{[(2S,3S,4S,5R,6S)-3-(acetyloxy)-6-{[(2S,3R,4R,5R,6R)-6-(dodecyloxy)-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-5-hydroxy-2-methyloxan-4-yl]oxy}-6-methyloxan-4-yl]oxy}-4,5-dihydroxy-2-methyloxan-3-yl acetic acid	Generator

Chemical Formula

C₄₄H₇₄O₂₁

Average Mass

939.0550 Da

Monoisotopic Mass

938.47226 Da

IUPAC Name

(2S,3S,4S,5R,6S)-4-{[(2S,3R,4R,5S,6S)-3,5-bis(acetyloxy)-4-{[(2S,3R,4S,5R,6S)-5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-{[(2S,3R,4R,5R,6R)-6-(dodecyloxy)-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-5-hydroxy-2-methyloxan-3-yl acetate

Traditional Name

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCO[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC(C)=O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]4O)[C@H]3OC(C)=O)[C@H]2O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C44H74O21/c1-10-11-12-13-14-15-16-17-18-19-20-54-41-31(51)29(49)35(22(3)55-41)63-43-33(53)38(36(23(4)57-43)60-26(7)46)64-44-40(62-28(9)48)39(37(24(5)58-44)61-27(8)47)65-42-32(52)30(50)34(21(2)56-42)59-25(6)45/h21-24,29-44,49-53H,10-20H2,1-9H3/t21-,22-,23-,24-,29+,30-,31+,32+,33+,34-,35-,36-,37-,38-,39+,40+,41+,42-,43-,44-/m0/s1

InChI Key

LWOBLAUKUYVZAM-BGGLTTEISA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Cleistopholis patens	Plant	KNApSAcK

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
Fatty acyl glycoside
Tetracarboxylic acid or derivatives
Alkyl glycoside
O-glycosyl compound
Glycosyl compound
Fatty acyl
Oxane
Secondary alcohol
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Carboxylic acid derivative
Acetal
Organic oxide
Hydrocarbon derivative
Carbonyl group
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	3.1	ALOGPS
logP	3.23	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	11.82	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	17	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	280.19 Å²	ChemAxon
Rotatable Bond Count	26	ChemAxon
Refractivity	219.03 m³·mol⁻¹	ChemAxon
Polarizability	100.18 Å³	ChemAxon
Number of Rings	4	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

163049854

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for (-)-Cleistetroside 2 (NP0076329)

MOL for NP0076329 ((-)-Cleistetroside 2)

3D MOL for NP0076329 ((-)-Cleistetroside 2)

3D SDF for NP0076329 ((-)-Cleistetroside 2)

3D-SDF for NP0076329 ((-)-Cleistetroside 2)

PDB for NP0076329 ((-)-Cleistetroside 2)

3D PDB for NP0076329 ((-)-Cleistetroside 2)

SMILES for NP0076329 ((-)-Cleistetroside 2)

INCHI for NP0076329 ((-)-Cleistetroside 2)

Structure for NP0076329 ((-)-Cleistetroside 2)

3D Structure for NP0076329 ((-)-Cleistetroside 2)