NP-MRD: Showing NP-Card for Astragaloside II (NP0074212)

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Record Information

Version

2.0

Created at

2022-04-28 19:22:33 UTC

Updated at

2022-04-28 19:22:33 UTC

NP-MRD ID

NP0074212

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Astragaloside II

Description

Astragaloside II belongs to the class of organic compounds known as cucurbitacin glycosides. These are polycyclic compounds containing a carbohydrate derivative glycosidically linked to a curcubitane nucleus. Astragaloside II is found in Astragalus membranaceus , Astragalus microcephalus , Astragalus mongholicus, Astragalus oleifolius, Astragalus sieversianus, Astragalus trojanus , Euphorbia glareosa and Waltheria douradinha . Astragaloside II was first documented in 2013 (PMID: 23524573). Based on a literature review a small amount of articles have been published on astragaloside II (PMID: 24782060) (PMID: 25068786) (PMID: 25706566).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282221222D          

 58 65  0  0  1  0            999 V2000
   -0.5318   -0.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8121   -0.9702    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2803   -1.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5318   -1.4557    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8121   -0.6798    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2803   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6242   -0.5346    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1561   -1.1653    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8758   -1.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0636   -2.0864    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7833   -2.8623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3152   -3.4930    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1273   -3.3478    0.0000 O   0  0  0  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  1  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  6  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  1  0  0  0
 16 19  1  6  0  0  0
 15 20  1  1  0  0  0
 14 21  1  6  0  0  0
 21 22  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  7 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 23 29  1  0  0  0  0
 28 30  1  1  0  0  0
 27 31  1  1  0  0  0
 31 32  1  6  0  0  0
 32 33  1  0  0  0  0
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 31 35  1  0  0  0  0
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 31 40  1  1  0  0  0
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 54 55  2  0  0  0  0
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 51 57  1  6  0  0  0
 50 58  1  1  0  0  0
M  END

     RDKit          3D

128135  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652304282221222D          

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 51 57  1  6  0  0  0
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M  END
> <DATABASE_ID>
NP0074212

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)O[C@@H]1[C@@H](O)[C@H](O)CO[C@H]1O[C@H]1CC[C@]23C[C@]22CC[C@]4(C)[C@H]([C@@H](O)C[C@@]4(C)[C@@H]2C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3C1(C)C)[C@@]1(C)CC[C@H](O1)C(C)(C)O

> <INCHI_IDENTIFIER>
InChI=1S/C43H70O15/c1-20(45)54-32-28(48)22(47)18-53-36(32)57-26-10-12-43-19-42(43)14-13-39(6)33(41(8)11-9-27(58-41)38(4,5)52)21(46)16-40(39,7)25(42)15-23(34(43)37(26,2)3)55-35-31(51)30(50)29(49)24(17-44)56-35/h21-36,44,46-52H,9-19H2,1-8H3/t21-,22+,23-,24+,25-,26-,27-,28-,29+,30-,31+,32+,33-,34-,35+,36-,39+,40-,41+,42-,43+/m0/s1

> <INCHI_KEY>
AYWNHWGQTMCQIV-PENCHUSISA-N

> <FORMULA>
C43H70O15

> <MOLECULAR_WEIGHT>
827.018

> <EXACT_MASS>
826.471471554

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
128

> <JCHEM_AVERAGE_POLARIZABILITY>
90.76517152863613

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,5R)-4,5-dihydroxy-2-{[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-6-yl]oxy}oxan-3-yl acetate

> <ALOGPS_LOGP>
1.13

> <JCHEM_LOGP>
0.12958238000000138

> <ALOGPS_LOGS>
-3.89

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.746353865866038

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.110180075263205

> <JCHEM_PKA_STRONGEST_BASIC>
-2.87594324507326

> <JCHEM_POLAR_SURFACE_AREA>
234.28999999999994

> <JCHEM_REFRACTIVITY>
203.73160000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.07e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,5R)-4,5-dihydroxy-2-{[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-6-yl]oxy}oxan-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      -0.993  -0.363   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.516  -1.811   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.523  -2.988   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.993  -2.717   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.516  -1.269   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.523  -0.092   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.032  -0.998   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.025  -2.175   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.501  -3.624   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.985  -3.895   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       1.462  -5.343   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       2.455  -6.520   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       3.971  -6.249   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       4.964  -7.427   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.440  -8.875   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.924  -9.146   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.932  -7.969   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       0.416  -8.240   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       2.401 -10.594   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       5.433 -10.052   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       6.480  -7.156   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       7.472  -8.333   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       5.541  -1.904   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.064  -0.456   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.071   0.722   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.555   0.451   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.603  -0.506   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.031  -1.985   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.756  -2.849   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       9.479  -2.508   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       8.548   0.710   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       9.220   2.096   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      10.745   1.885   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      11.017   0.369   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       9.659  -0.357   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      11.813   2.996   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      12.880   4.106   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      10.702   4.063   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      12.923   1.928   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       7.240   1.523   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       6.736   0.930   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       5.172  -3.399   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       2.039   0.179   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -0.305  -4.513   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -1.665  -4.022   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0      -3.032  -2.082   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0      -3.555  -3.531   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0      -2.562  -4.708   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0      -3.086  -6.156   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      -4.602  -6.427   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      -5.594  -5.250   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      -5.071  -3.802   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0      -6.064  -2.624   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0      -5.541  -1.176   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0      -6.533   0.001   0.000  0.00  0.00           O+0
HETATM   56  C   UNK     0      -4.025  -0.905   0.000  0.00  0.00           C+0
HETATM   57  O   UNK     0      -7.110  -5.521   0.000  0.00  0.00           O+0
HETATM   58  O   UNK     0      -5.125  -7.876   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3   46                                                  
CONECT    3    2    4   44   45                                             
CONECT    4    3    5   10                                                  
CONECT    5    4    6    7   43                                             
CONECT    6    5    1                                                       
CONECT    7    5    8   26   43                                             
CONECT    8    7    9   23                                                  
CONECT    9    8   10                                                       
CONECT   10    9    4   11                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   21                                                  
CONECT   15   14   16   20                                                  
CONECT   16   15   17   19                                                  
CONECT   17   16   12   18                                                  
CONECT   18   17                                                            
CONECT   19   16                                                            
CONECT   20   15                                                            
CONECT   21   14   22                                                       
CONECT   22   21                                                            
CONECT   23    8   24   29   42                                             
CONECT   24   23   25   27   41                                             
CONECT   25   24   26                                                       
CONECT   26   25    7                                                       
CONECT   27   24   28   31                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28   23                                                       
CONECT   30   28                                                            
CONECT   31   27   32   35   40                                             
CONECT   32   31   33                                                       
CONECT   33   32   34   36                                                  
CONECT   34   33   35                                                       
CONECT   35   34   31                                                       
CONECT   36   33   37   38   39                                             
CONECT   37   36                                                            
CONECT   38   36                                                            
CONECT   39   36                                                            
CONECT   40   31                                                            
CONECT   41   24                                                            
CONECT   42   23                                                            
CONECT   43    7    5                                                       
CONECT   44    3                                                            
CONECT   45    3                                                            
CONECT   46    2   47                                                       
CONECT   47   46   48   52                                                  
CONECT   48   47   49                                                       
CONECT   49   48   50                                                       
CONECT   50   49   51   58                                                  
CONECT   51   50   52   57                                                  
CONECT   52   51   47   53                                                  
CONECT   53   52   54                                                       
CONECT   54   53   55   56                                                  
CONECT   55   54                                                            
CONECT   56   54                                                            
CONECT   57   51                                                            
CONECT   58   50                                                            
MASTER        0    0    0    0    0    0    0    0   58    0  130    0
END

View in JSmol

Synonyms

Value	Source
Astrasieversianin VIII	ChEBI

Chemical Formula

C₄₃H₇₀O₁₅

Average Mass

827.0180 Da

Monoisotopic Mass

826.47147 Da

IUPAC Name

(2S,3R,4S,5R)-4,5-dihydroxy-2-{[(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-14-hydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-6-yl]oxy}oxan-3-yl acetate

Traditional Name

CAS Registry Number

Not Available

SMILES

CC(=O)O[C@@H]1[C@@H](O)[C@H](O)CO[C@H]1O[C@H]1CC[C@]23C[C@]22CC[C@]4(C)[C@H]([C@@H](O)C[C@@]4(C)[C@@H]2C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]3C1(C)C)[C@@]1(C)CC[C@H](O1)C(C)(C)O

InChI Identifier

InChI=1S/C43H70O15/c1-20(45)54-32-28(48)22(47)18-53-36(32)57-26-10-12-43-19-42(43)14-13-39(6)33(41(8)11-9-27(58-41)38(4,5)52)21(46)16-40(39,7)25(42)15-23(34(43)37(26,2)3)55-35-31(51)30(50)29(49)24(17-44)56-35/h21-36,44,46-52H,9-19H2,1-8H3/t21-,22+,23-,24+,25-,26-,27-,28-,29+,30-,31+,32+,33-,34-,35+,36-,39+,40-,41+,42-,43+/m0/s1

InChI Key

AYWNHWGQTMCQIV-PENCHUSISA-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
Astragalus membranaceus	Plant	KNApSAcK
Astragalus microcephalus	Plant	KNApSAcK
Astragalus mongholicus	Plant	KNApSAcK
Astragalus oleifolius	Plant	KNApSAcK
Astragalus sieversianus	LOTUS Database	35616633
Astragalus trojanus	Plant	KNApSAcK
Euphorbia glareosa	LOTUS Database	35616633
Waltheria douradinha	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cucurbitacin glycosides. These are polycyclic compounds containing a carbohydrate derivative glycosidically linked to a curcubitane nucleus.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Steroidal glycosides

Direct Parent

Cucurbitacin glycosides

Alternative Parents

Substituents

Cucurbitacin glycoside skeleton
Triterpene saponin
Triterpene glycoside
Cycloartanol-skeleton
Triterpenoid
9b,19-cyclo-lanostane-skeleton
Cycloartane-skeleton
16-hydroxysteroid
16-beta-hydroxysteroid
Hydroxysteroid
Glycosyl compound
O-glycosyl compound
Monosaccharide
Oxane
Cyclic alcohol
Tetrahydrofuran
Tertiary alcohol
Carboxylic acid ester
Secondary alcohol
Monocarboxylic acid or derivatives
Ether
Dialkyl ether
Acetal
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Polyol
Primary alcohol
Alcohol
Organic oxide
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Organooxygen 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
logP	1.13	ALOGPS
logP	0.13	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Acidic)	12.11	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	234.29 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	203.73 m³·mol⁻¹	ChemAxon
Polarizability	90.77 Å³	ChemAxon
Number of Rings	8	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

C00003500

Chemspider ID

30790840

KEGG Compound ID

C17798

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

13996693

PDB ID

Not Available

ChEBI ID

91026

Good Scents ID

Not Available

References

General References

Wan CP, Gao LX, Hou LF, Yang XQ, He PL, Yang YF, Tang W, Yue JM, Li J, Zuo JP: Astragaloside II triggers T cell activation through regulation of CD45 protein tyrosine phosphatase activity. Acta Pharmacol Sin. 2013 Apr;34(4):522-30. doi: 10.1038/aps.2012.208. Epub 2013 Mar 25. [PubMed:23524573 ]
Liu XH, Zhao JB, Guo L, Yang YL, Hu F, Zhu RJ, Feng SL: Simultaneous determination of calycosin-7-O-beta-D-glucoside, ononin, calycosin, formononetin, astragaloside IV, and astragaloside II in rat plasma after oral administration of Radix Astragali extraction for their pharmacokinetic studies by ultra-pressure liquid chromatography with tandem mass spectrometry. Cell Biochem Biophys. 2014 Sep;70(1):677-86. doi: 10.1007/s12013-014-9972-x. [PubMed:24782060 ]
Kim YB, Thwe AA, Li X, Tuan PA, Lee S, Lee JW, Arasu MV, Al-Dhabi NA, Park SU: Accumulation of astragalosides and related gene expression in different organs of Astragalus membranaceus Bge. var mongholicus (Bge.). Molecules. 2014 Jul 25;19(8):10922-35. doi: 10.3390/molecules190810922. [PubMed:25068786 ]
Liu XH, Zhu RJ, Hu F, Guo L, Yang YL, Feng SL: Tissue distribution of six major bio-active components after oral administration of Zhenqi Fuzheng capsules to rats using ultra-pressure liquid chromatography-tandem mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci. 2015 Apr 1;986-987:44-53. doi: 10.1016/j.jchromb.2015.01.033. Epub 2015 Feb 9. [PubMed:25706566 ]

Showing NP-Card for Astragaloside II (NP0074212)

MOL for NP0074212 (Astragaloside II)

3D MOL for NP0074212 (Astragaloside II)

3D SDF for NP0074212 (Astragaloside II)

3D-SDF for NP0074212 (Astragaloside II)

PDB for NP0074212 (Astragaloside II)

3D PDB for NP0074212 (Astragaloside II)

SMILES for NP0074212 (Astragaloside II)

INCHI for NP0074212 (Astragaloside II)

Structure for NP0074212 (Astragaloside II)

3D Structure for NP0074212 (Astragaloside II)