NP-MRD: Showing NP-Card for (2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-{[(2r)-5-hydroxy-4-methyl-2h-pyrrol-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol (NP0270840)

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Record Information

Version

2.0

Created at

2022-09-08 16:55:22 UTC

Updated at

2022-09-08 16:55:22 UTC

NP-MRD ID

NP0270840

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-{[(2r)-5-hydroxy-4-methyl-2h-pyrrol-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Description

[(5-Oxo-4-methyl-2,5-dihydro-1H-pyrrol)-2alpha-yl]3-O-(beta-D-glucopyranosyl)-beta-D-glucopyranoside belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. (2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-{[(2r)-5-hydroxy-4-methyl-2h-pyrrol-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol is found in Lilium hansonii and Lilium martagon. Based on a literature review very few articles have been published on [(5-Oxo-4-methyl-2,5-dihydro-1H-pyrrol)-2alpha-yl]3-O-(beta-D-glucopyranosyl)-beta-D-glucopyranoside.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309082218552D          

 30 32  0  0  1  0            999 V2000
   -3.4656   -0.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4656   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7982   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0531   -2.5687    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5682   -3.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9038   -3.9898    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7243   -4.0760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0598   -4.8297    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8803   -4.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2159   -5.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5749   -5.4971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9105   -6.2508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7544   -5.4109    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2695   -6.0783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4490   -5.9921    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1135   -5.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2930   -5.1522    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0426   -4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4423   -3.7311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1919   -5.8196    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0124   -5.7334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1436   -6.5733    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3413   -7.2407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9641   -6.6595    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2997   -7.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4189   -4.6572    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5984   -4.5710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8781   -2.5687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1331   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9177   -1.5291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  1  0  0  0
 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  1  0  0  0
 13 26  1  0  0  0  0
  6 26  1  0  0  0  0
 26 27  1  6  0  0  0
  4 28  1  0  0  0  0
 28 29  2  0  0  0  0
  2 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END


  Mrv1652309082218552D          

 30 32  0  0  1  0            999 V2000
   -3.4656   -0.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4656   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7982   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0531   -2.5687    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5682   -3.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9038   -3.9898    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7243   -4.0760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0598   -4.8297    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8803   -4.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2159   -5.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5749   -5.4971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9105   -6.2508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7544   -5.4109    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2695   -6.0783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4490   -5.9921    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1135   -5.2384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2930   -5.1522    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0426   -4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4423   -3.7311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1919   -5.8196    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0124   -5.7334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1436   -6.5733    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3413   -7.2407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9641   -6.6595    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2997   -7.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4189   -4.6572    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5984   -4.5710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8781   -2.5687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1331   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9177   -1.5291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  1  0  0  0
 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  1  0  0  0
 13 26  1  0  0  0  0
  6 26  1  0  0  0  0
 26 27  1  6  0  0  0
  4 28  1  0  0  0  0
 28 29  2  0  0  0  0
  2 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0270840

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)N=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C17H27NO12/c1-5-2-8(18-15(5)26)29-17-13(25)14(10(22)7(4-20)28-17)30-16-12(24)11(23)9(21)6(3-19)27-16/h2,6-14,16-17,19-25H,3-4H2,1H3,(H,18,26)/t6-,7-,8-,9-,10-,11+,12-,13-,14+,16+,17+/m1/s1

> <INCHI_KEY>
HOAZFNHPVWERBO-NRDZMIQYSA-N

> <FORMULA>
C17H27NO12

> <MOLECULAR_WEIGHT>
437.398

> <EXACT_MASS>
437.153325313

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
57

> <JCHEM_AVERAGE_POLARIZABILITY>
42.1423222883353

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-{[(2R)-5-hydroxy-4-methyl-2H-pyrrol-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_LOGP>
-3.1166189653333345

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.940295363827767

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.335583101284376

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981091901054243

> <JCHEM_POLAR_SURFACE_AREA>
211.11999999999998

> <JCHEM_REFRACTIVITY>
93.9325

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-{[(2R)-5-hydroxy-4-methyl-2H-pyrrol-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      -6.469  -0.885   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.469  -2.425   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.223  -3.330   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.699  -4.795   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -4.794  -6.041   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -5.420  -7.448   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -6.952  -7.609   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -7.578  -9.015   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -9.110  -9.176   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -9.736 -10.583   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -6.673 -10.261   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -7.300 -11.668   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -5.142 -10.100   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -4.236 -11.346   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -2.705 -11.185   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -2.078  -9.778   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -0.547  -9.617   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.079  -8.211   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -0.826  -6.965   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       0.358 -10.863   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       1.890 -10.702   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -0.268 -12.270   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       0.637 -13.516   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -1.800 -12.431   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -2.426 -13.838   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -4.515  -8.693   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -2.984  -8.532   0.000  0.00  0.00           O+0
HETATM   28  N   UNK     0      -7.239  -4.795   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0      -7.715  -3.330   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -9.180  -2.854   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   29                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   28                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   26                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   11                                                  
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11    8   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   26                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   24                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   20                                                  
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   17   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   15   25                                                  
CONECT   25   24                                                            
CONECT   26   13    6   27                                                  
CONECT   27   26                                                            
CONECT   28    4   29                                                       
CONECT   29   28    2   30                                                  
CONECT   30   29                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   64    0
END

View in JSmol

Synonyms

Value	Source
[(5-oxo-4-Methyl-2,5-dihydro-1H-pyrrol)-2a-yl]3-O-(b-D-glucopyranosyl)-b-D-glucopyranoside	Generator
[(5-oxo-4-Methyl-2,5-dihydro-1H-pyrrol)-2α-yl]3-O-(β-D-glucopyranosyl)-β-D-glucopyranoside	Generator

Chemical Formula

C₁₇H₂₇NO₁₂

Average Mass

437.3980 Da

Monoisotopic Mass

437.15333 Da

IUPAC Name

(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-{[(2R)-5-hydroxy-4-methyl-2H-pyrrol-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

(2S,3R,4S,5S,6R)-2-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-{[(2R)-5-hydroxy-4-methyl-2H-pyrrol-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

Not Available

SMILES

CC1=C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)N=C1O

InChI Identifier

InChI=1S/C17H27NO12/c1-5-2-8(18-15(5)26)29-17-13(25)14(10(22)7(4-20)28-17)30-16-12(24)11(23)9(21)6(3-19)27-16/h2,6-14,16-17,19-25H,3-4H2,1H3,(H,18,26)/t6-,7-,8-,9-,10-,11+,12-,13-,14+,16+,17+/m1/s1

InChI Key

HOAZFNHPVWERBO-NRDZMIQYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Lilium hansonii	LOTUS Database	35616633
Lilium martagon	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

Disaccharide
O-glycosyl compound
Oxane
Pyrroline
Carboxamide group
Lactam
Secondary alcohol
Secondary carboxylic acid amide
Acetal
Carboxylic acid derivative
Oxacycle
Polyol
Azacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organonitrogen compound
Carbonyl group
Primary alcohol
Organic nitrogen compound
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	ChemAxon
pKa (Strongest Acidic)	5.34	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	211.12 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	93.93 m³·mol⁻¹	ChemAxon
Polarizability	42.14 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

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METLIN ID

Not Available

PubChem Compound

101630363

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-{[(2r)-5-hydroxy-4-methyl-2h-pyrrol-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol (NP0270840)

MOL for NP0270840 ((2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-{[(2r)-5-hydroxy-4-methyl-2h-pyrrol-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D MOL for NP0270840 ((2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-{[(2r)-5-hydroxy-4-methyl-2h-pyrrol-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D SDF for NP0270840 ((2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-{[(2r)-5-hydroxy-4-methyl-2h-pyrrol-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D-SDF for NP0270840 ((2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-{[(2r)-5-hydroxy-4-methyl-2h-pyrrol-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

PDB for NP0270840 ((2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-{[(2r)-5-hydroxy-4-methyl-2h-pyrrol-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D PDB for NP0270840 ((2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-{[(2r)-5-hydroxy-4-methyl-2h-pyrrol-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

SMILES for NP0270840 ((2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-{[(2r)-5-hydroxy-4-methyl-2h-pyrrol-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

INCHI for NP0270840 ((2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-{[(2r)-5-hydroxy-4-methyl-2h-pyrrol-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

Structure for NP0270840 ((2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-{[(2r)-5-hydroxy-4-methyl-2h-pyrrol-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)

3D Structure for NP0270840 ((2s,3r,4s,5s,6r)-2-{[(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-{[(2r)-5-hydroxy-4-methyl-2h-pyrrol-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol)