NP-MRD: Showing NP-Card for (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1s,17s,18s,19s)-18-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-17-yl]oxy}oxane-3,4,5-triol (NP0251624)

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Record Information

Version

2.0

Created at

2022-09-07 14:52:29 UTC

Updated at

2022-09-07 14:52:29 UTC

NP-MRD ID

NP0251624

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1s,17s,18s,19s)-18-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-17-yl]oxy}oxane-3,4,5-triol

Description

Lycorine O1,O2-di-(beta-D-glucopyranoside) belongs to the class of organic compounds known as lycorine-type amaryllidaceae alkaloids. These are amaryllidaceae alkaloids compounds containing the lycorine skeleton, made up of a pyrrolo[d,e]phenanthridine ring system. (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1s,17s,18s,19s)-18-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-17-yl]oxy}oxane-3,4,5-triol is found in Crinum asiaticum. Based on a literature review very few articles have been published on Lycorine O1,O2-di-(beta-D-glucopyranoside).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072216522D          

 43 49  0  0  1  0            999 V2000
   -2.0760   -4.7997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2914   -4.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3352   -3.4828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6209   -2.4209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7925   -1.6139    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -0.1340    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1355    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8500    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 42  1  0  0  0  0
 42 43  1  1  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309072216522D          

 43 49  0  0  1  0            999 V2000
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    2.5645    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9934    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5645    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7486   -0.5520    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5771   -1.3590    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1902   -1.9110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0186   -2.7180    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2340   -2.9729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625   -3.7799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2779   -4.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1064   -4.8418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6756   -4.3320    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5041   -5.1389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4602   -4.0770    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0733   -4.6290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6317   -3.2700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4164   -3.0151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1355    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7780   -0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2629    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7780    1.0799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7768   -2.1238    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6053   -1.3168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5614   -2.3788    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1745   -1.8267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7329   -3.1857    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5176   -3.4407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 20 19  1  6  0  0  0
 20 21  1  0  0  0  0
  7 21  1  0  0  0  0
 21 22  1  6  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  6  0  0  0
 28 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 23 32  1  0  0  0  0
 32 33  1  6  0  0  0
 20 34  1  0  0  0  0
  9 34  1  0  0  0  0
 34 12  1  1  0  0  0
 17 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 16 37  1  0  0  0  0
  5 38  1  0  0  0  0
 38 39  1  1  0  0  0
 38 40  1  0  0  0  0
 40 41  1  6  0  0  0
 40 42  1  0  0  0  0
  3 42  1  0  0  0  0
 42 43  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0251624

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC[C@H]1O[C@@H](O[C@H]2C=C3CCN4CC5=CC6=C(OCO6)C=C5[C@@H]([C@@H]34)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C28H37NO14/c30-7-16-20(32)22(34)24(36)27(41-16)40-15-3-10-1-2-29-6-11-4-13-14(39-9-38-13)5-12(11)18(19(10)29)26(15)43-28-25(37)23(35)21(33)17(8-31)42-28/h3-5,15-28,30-37H,1-2,6-9H2/t15-,16+,17+,18-,19+,20+,21+,22-,23-,24+,25+,26+,27+,28-/m0/s1

> <INCHI_KEY>
NAGIBFPIZBJGNH-DKVFUARPSA-N

> <FORMULA>
C28H37NO14

> <MOLECULAR_WEIGHT>
611.597

> <EXACT_MASS>
611.221404875

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
60.213365851735745

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(1S,17S,18S,19S)-18-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,7-dioxa-12-azapentacyclo[10.6.1.0^{2,10}.0^{4,8}.0^{15,19}]nonadeca-2,4(8),9,15-tetraen-17-yl]oxy}oxane-3,4,5-triol

> <JCHEM_LOGP>
-3.3793374809999994

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.43242218436664

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.910146542947347

> <JCHEM_PKA_STRONGEST_BASIC>
8.248291021785047

> <JCHEM_POLAR_SURFACE_AREA>
220.45999999999995

> <JCHEM_REFRACTIVITY>
141.00820000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-{[(1S,17S,18S,19S)-18-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,7-dioxa-12-azapentacyclo[10.6.1.0^{2,10}.0^{4,8}.0^{15,19}]nonadeca-2,4(8),9,15-tetraen-17-yl]oxy}oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  O   UNK     0      -3.875  -8.959   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -2.411  -8.484   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.090  -6.977   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -0.626  -6.501   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -0.306  -4.995   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       1.159  -4.519   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       1.479  -3.013   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.335  -1.982   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.655  -0.476   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.250   0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.655   2.016   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       2.120   1.540   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       3.453   2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.787   1.540   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.121   2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.454   1.540   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.454   0.000   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.121  -0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.787   0.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.264  -1.030   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.944  -2.537   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       4.088  -3.567   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       3.768  -5.074   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       2.304  -5.550   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       1.983  -7.056   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.519  -7.532   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       0.199  -9.038   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       3.128  -8.086   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       2.808  -9.593   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       4.592  -7.610   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       5.737  -8.641   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       4.913  -6.104   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       6.377  -5.628   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       2.120   0.000   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       8.919  -0.476   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       9.824   0.770   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       8.919   2.016   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      -1.450  -3.964   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -1.130  -2.458   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      -2.915  -4.440   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -4.059  -3.410   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -3.235  -5.947   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      -4.699  -6.423   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   42                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   38                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   21                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   34                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   34                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   37                                                  
CONECT   17   16   18   35                                                  
CONECT   18   17   19                                                       
CONECT   19   18   14   20                                                  
CONECT   20   19   21   34                                                  
CONECT   21   20    7   22                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   32                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   28                                                  
CONECT   26   25   27                                                       
CONECT   27   26                                                            
CONECT   28   25   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   23   33                                                  
CONECT   33   32                                                            
CONECT   34   20    9   12                                                  
CONECT   35   17   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   16                                                       
CONECT   38    5   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40    3   43                                                  
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   98    0
END

View in JSmol

Synonyms

Value	Source
Lycorine O1,O2-di-(b-D-glucopyranoside)	Generator
Lycorine O1,O2-di-(β-D-glucopyranoside)	Generator

Chemical Formula

C₂₈H₃₇NO₁₄

Average Mass

611.5970 Da

Monoisotopic Mass

611.22140 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

OC[C@H]1O[C@@H](O[C@H]2C=C3CCN4CC5=CC6=C(OCO6)C=C5[C@@H]([C@@H]34)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C28H37NO14/c30-7-16-20(32)22(34)24(36)27(41-16)40-15-3-10-1-2-29-6-11-4-13-14(39-9-38-13)5-12(11)18(19(10)29)26(15)43-28-25(37)23(35)21(33)17(8-31)42-28/h3-5,15-28,30-37H,1-2,6-9H2/t15-,16+,17+,18-,19+,20+,21+,22-,23-,24+,25+,26+,27+,28-/m0/s1

InChI Key

NAGIBFPIZBJGNH-DKVFUARPSA-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
Crinum asiaticum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as lycorine-type amaryllidaceae alkaloids. These are amaryllidaceae alkaloids compounds containing the lycorine skeleton, made up of a pyrrolo[d,e]phenanthridine ring system.

Kingdom

Organic compounds

Super Class

Alkaloids and derivatives

Class

Amaryllidaceae alkaloids

Sub Class

Lycorine-type amaryllidaceae alkaloids

Direct Parent

Lycorine-type amaryllidaceae alkaloids

Alternative Parents

Substituents

Lycorine skeleton
Benzoquinoline
Phenanthridine
Glycosyl compound
O-glycosyl compound
Tetrahydroisoquinoline
Quinoline
Benzodioxole
Indole or derivatives
Aralkylamine
Monosaccharide
Oxane
Benzenoid
N-alkylpyrrolidine
Pyrrolidine
Tertiary amine
Secondary alcohol
Tertiary aliphatic amine
Acetal
Oxacycle
Azacycle
Organoheterocyclic compound
Polyol
Amine
Alcohol
Hydrocarbon derivative
Organopnictogen compound
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Primary alcohol
Organic nitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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

60958903

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101529183

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1s,17s,18s,19s)-18-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-17-yl]oxy}oxane-3,4,5-triol (NP0251624)

MOL for NP0251624 ((2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1s,17s,18s,19s)-18-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-17-yl]oxy}oxane-3,4,5-triol)

3D MOL for NP0251624 ((2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1s,17s,18s,19s)-18-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-17-yl]oxy}oxane-3,4,5-triol)

3D SDF for NP0251624 ((2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1s,17s,18s,19s)-18-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-17-yl]oxy}oxane-3,4,5-triol)

3D-SDF for NP0251624 ((2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1s,17s,18s,19s)-18-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-17-yl]oxy}oxane-3,4,5-triol)

PDB for NP0251624 ((2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1s,17s,18s,19s)-18-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-17-yl]oxy}oxane-3,4,5-triol)

3D PDB for NP0251624 ((2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1s,17s,18s,19s)-18-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-17-yl]oxy}oxane-3,4,5-triol)

SMILES for NP0251624 ((2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1s,17s,18s,19s)-18-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-17-yl]oxy}oxane-3,4,5-triol)

INCHI for NP0251624 ((2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1s,17s,18s,19s)-18-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-17-yl]oxy}oxane-3,4,5-triol)

Structure for NP0251624 ((2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1s,17s,18s,19s)-18-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-17-yl]oxy}oxane-3,4,5-triol)

3D Structure for NP0251624 ((2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1s,17s,18s,19s)-18-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,15-tetraen-17-yl]oxy}oxane-3,4,5-triol)