NP-MRD: Showing NP-Card for Acarbose (NP0061421)

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Record Information

Version

2.0

Created at

2022-04-28 06:12:59 UTC

Updated at

2022-04-28 06:12:59 UTC

NP-MRD ID

NP0061421

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Acarbose

Description

(2R,3S,4R,5R)-4-{[(2R,3R,4S,5S,6R)-5-{[(2S,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,5,6-tetrahydroxyhexanal belongs to the class of organic compounds known as aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidically linked to a carbohydrate moiety. There are two major classes of aminoglycosides containing a 2-streptamine core. They are called 4,5- and 4,6-disubstituted 2-deoxystreptamines. Acarbose is found in Actinoplanes sp., Hintonia latiflora, Streptomyces diastaticus and Streptomyces glaucescens. Based on a literature review very few articles have been published on (2R,3S,4R,5R)-4-{[(2R,3R,4S,5S,6R)-5-{[(2S,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,5,6-tetrahydroxyhexanal.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282208132D          

 44 46  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652304282208132D          

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   -2.8066    4.9204    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6316    4.9204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3941    4.2059    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5691    4.2059    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1566    4.9204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691    5.6349    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1566    6.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1566    3.4914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3316    3.4914    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0809    4.2059    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9059    4.2059    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3184    3.4914    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9059    2.7770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0809    2.7770    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3316    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1566    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.4914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    2.7770    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5559    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.6336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    2.7770    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7934    2.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6184    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0309    2.7770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.3480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    3.4914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    4.9204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3316    4.9204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8066    3.4914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3316    7.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0809    7.0638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1566    9.2072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8066    9.2072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  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  6  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  1  0  0  0
 13 17  1  1  0  0  0
 18 17  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  6  0  0  0
 24 25  1  0  0  0  0
 21 26  1  1  0  0  0
 27 26  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 31  1  1  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 33 36  1  6  0  0  0
 32 37  1  1  0  0  0
 20 38  1  1  0  0  0
 19 39  1  1  0  0  0
 12 40  1  6  0  0  0
  3 41  1  0  0  0  0
 41 42  1  0  0  0  0
  2 43  1  6  0  0  0
  1 44  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0061421

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@H]([C@H](O)CO)[C@@H](O)[C@@H](O)C=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C25H43NO18/c1-7-13(26-9-2-8(3-27)14(33)18(37)15(9)34)17(36)20(39)24(41-7)44-23-12(6-30)42-25(21(40)19(23)38)43-22(11(32)5-29)16(35)10(31)4-28/h2,4,7,9-27,29-40H,3,5-6H2,1H3/t7-,9+,10+,11-,12-,13-,14-,15+,16+,17+,18+,19+,20-,21-,22-,23-,24+,25-/m1/s1

> <INCHI_KEY>
CEMXHAPUFJOOSV-POGFFWQOSA-N

> <FORMULA>
C25H43NO18

> <MOLECULAR_WEIGHT>
645.608

> <EXACT_MASS>
645.248013549

> <JCHEM_ACCEPTOR_COUNT>
19

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
61.15395825941347

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
14

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4R,5R)-4-{[(2R,3R,4S,5S,6R)-5-{[(2S,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,5,6-tetrahydroxyhexanal

> <ALOGPS_LOGP>
-2.70

> <JCHEM_LOGP>
-8.250380201666667

> <ALOGPS_LOGS>
-0.78

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.276417769284294

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.833791449129755

> <JCHEM_PKA_STRONGEST_BASIC>
7.031615999623758

> <JCHEM_POLAR_SURFACE_AREA>
329.01

> <JCHEM_REFRACTIVITY>
139.02460000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.08e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,4R,5R)-4-{[(2R,3R,4S,5S,6R)-5-{[(2S,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,5,6-tetrahydroxyhexanal

> <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      -4.469  15.853   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.929  15.853   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.159  14.519   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.929  13.186   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.469  13.186   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.239  14.519   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -6.779  14.519   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0      -5.239  11.852   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      -4.469  10.518   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -5.239   9.185   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -6.779   9.185   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -4.469   7.851   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.929   7.851   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -2.159   9.185   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -2.929  10.518   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.159  11.852   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -2.159   6.517   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -0.619   6.517   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.151   7.851   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.691   7.851   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.461   6.517   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       1.691   5.184   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       0.151   5.184   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.619   3.850   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -2.159   3.850   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       4.001   6.517   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       4.771   5.184   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.771   2.516   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       4.001   1.183   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       2.461   3.850   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       6.311   5.184   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.081   3.850   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       8.621   3.850   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       9.391   5.184   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       6.311   2.516   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       7.081   6.517   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       2.461   9.185   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -0.619   9.185   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -5.239   6.517   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      -0.619  14.519   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       0.151  13.186   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      -2.159  17.187   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0      -5.239  17.187   0.000  0.00  0.00           O+0
CONECT    1    2    6   44                                                  
CONECT    2    1    3   43                                                  
CONECT    3    2    4   41                                                  
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   15                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   40                                                  
CONECT   13   12   14   17                                                  
CONECT   14   13   15                                                       
CONECT   15   14    9   16                                                  
CONECT   16   15                                                            
CONECT   17   13   18                                                       
CONECT   18   17   19   23                                                  
CONECT   19   18   20   39                                                  
CONECT   20   19   21   38                                                  
CONECT   21   20   22   26                                                  
CONECT   22   21   23                                                       
CONECT   23   22   18   24                                                  
CONECT   24   23   25                                                       
CONECT   25   24                                                            
CONECT   26   21   27                                                       
CONECT   27   26   28   32                                                  
CONECT   28   27   29   31                                                  
CONECT   29   28   30                                                       
CONECT   30   29                                                            
CONECT   31   28                                                            
CONECT   32   27   33   37                                                  
CONECT   33   32   34   36                                                  
CONECT   34   33   35                                                       
CONECT   35   34                                                            
CONECT   36   33                                                            
CONECT   37   32                                                            
CONECT   38   20                                                            
CONECT   39   19                                                            
CONECT   40   12                                                            
CONECT   41    3   42                                                       
CONECT   42   41                                                            
CONECT   43    2                                                            
CONECT   44    1                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   92    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₅H₄₃NO₁₈

Average Mass

645.6080 Da

Monoisotopic Mass

645.24801 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

C[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@H]([C@H](O)CO)[C@@H](O)[C@@H](O)C=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C25H43NO18/c1-7-13(26-9-2-8(3-27)14(33)18(37)15(9)34)17(36)20(39)24(41-7)44-23-12(6-30)42-25(21(40)19(23)38)43-22(11(32)5-29)16(35)10(31)4-28/h2,4,7,9-27,29-40H,3,5-6H2,1H3/t7-,9+,10+,11-,12-,13-,14-,15+,16+,17+,18+,19+,20-,21-,22-,23-,24+,25-/m1/s1

InChI Key

CEMXHAPUFJOOSV-POGFFWQOSA-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
Actinoplanes sp.	Bacteria	KNApSAcK
Hintonia latiflora	LOTUS Database	35616633
Streptomyces diastaticus	LOTUS Database	35616633
Streptomyces glaucescens	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidically linked to a carbohydrate moiety. There are two major classes of aminoglycosides containing a 2-streptamine core. They are called 4,5- and 4,6-disubstituted 2-deoxystreptamines.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Aminocyclitol glycosides

Alternative Parents

Substituents

Oligosaccharide
Amino cyclitol glycoside
Fatty acyl glycoside
Alkyl glycoside
O-glycosyl compound
Glycosyl compound
Fatty acyl
Oxane
Beta-hydroxy aldehyde
Cyclitol or derivatives
Alpha-hydroxyaldehyde
Secondary alcohol
1,2-aminoalcohol
Oxacycle
Organoheterocyclic compound
Secondary amine
Polyol
Secondary aliphatic amine
Acetal
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organonitrogen compound
Carbonyl group
Amine
Aldehyde
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	-2.7	ALOGPS
logP	-8.3	ChemAxon
logS	-0.78	ALOGPS
pKa (Strongest Acidic)	11.83	ChemAxon
pKa (Strongest Basic)	7.03	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	19	ChemAxon
Hydrogen Donor Count	14	ChemAxon
Polar Surface Area	329.01 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	139.02 m³·mol⁻¹	ChemAxon
Polarizability	61.15 Å³	ChemAxon
Number of Rings	3	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

163094043

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Acarbose (NP0061421)

MOL for NP0061421 (Acarbose)

3D MOL for NP0061421 (Acarbose)

3D SDF for NP0061421 (Acarbose)

3D-SDF for NP0061421 (Acarbose)

PDB for NP0061421 (Acarbose)

3D PDB for NP0061421 (Acarbose)

SMILES for NP0061421 (Acarbose)

INCHI for NP0061421 (Acarbose)

Structure for NP0061421 (Acarbose)

3D Structure for NP0061421 (Acarbose)