NP-MRD: Showing NP-Card for 2-{[2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol (NP0305360)

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Record Information

Version

2.0

Created at

2022-09-10 21:07:56 UTC

Updated at

2022-09-10 21:07:56 UTC

NP-MRD ID

NP0305360

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-{[2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

Description

Karsoside 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. 2-{[2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol is found in Scrophularia ilwensis. 2-{[2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol was first documented in 1993 (PMID: 8496707). Based on a literature review very few articles have been published on Karsoside.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309102223072D          

 35 39  0  0  0  0            999 V2000
    3.4070    1.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7249    0.8019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7859   -0.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4874   -0.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2795   -0.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8753   -0.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6791   -1.5964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8870   -1.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6907   -2.6284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2866   -3.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0786   -2.9683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6745   -3.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4666   -3.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6628   -2.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4549   -2.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6511   -1.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4432   -1.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0391   -1.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8312   -1.5841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8428   -2.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4387   -3.1867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0507   -2.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8545   -3.6481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4782   -4.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0741   -4.9108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6861   -4.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4899   -5.3722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0903   -4.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2982   -4.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2911   -1.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4684   -1.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4430   -2.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7162   -2.5324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6509   -1.2060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1561   -0.5538    0.0000 C   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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  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  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 12 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 10 28  1  0  0  0  0
 28 29  1  0  0  0  0
  8 30  1  0  0  0  0
  4 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
  3 35  1  0  0  0  0
 31 35  1  0  0  0  0
M  END


  Mrv1652309102223072D          

 35 39  0  0  0  0            999 V2000
    3.4070    1.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7249    0.8019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7859   -0.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4874   -0.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2795   -0.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8753   -0.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6791   -1.5964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8870   -1.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6907   -2.6284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2866   -3.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0786   -2.9683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6745   -3.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4666   -3.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6628   -2.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4549   -2.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6511   -1.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4432   -1.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0391   -1.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8312   -1.5841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8428   -2.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4387   -3.1867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0507   -2.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8545   -3.6481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4782   -4.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0741   -4.9108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6861   -4.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4899   -5.3722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0903   -4.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2982   -4.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2911   -1.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4684   -1.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4430   -2.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7162   -2.5324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6509   -1.2060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1561   -0.5538    0.0000 C   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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  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  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 12 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 10 28  1  0  0  0  0
 28 29  1  0  0  0  0
  8 30  1  0  0  0  0
  4 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
  3 35  1  0  0  0  0
 31 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0305360

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1C2OC2(CO)C2C1C=COC2OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H32O14/c1-29-16-7-2-3-30-18(10(7)21(6-22)17(16)35-21)34-20-15(28)13(26)12(25)9(33-20)5-32-19-14(27)11(24)8(23)4-31-19/h2-3,7-20,22-28H,4-6H2,1H3

> <INCHI_KEY>
LOKOJGZZDJOXCS-UHFFFAOYSA-N

> <FORMULA>
C21H32O14

> <MOLECULAR_WEIGHT>
508.473

> <EXACT_MASS>
508.17920571

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
48.78544399610801

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.0^{2,4}]dec-7-en-10-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

> <JCHEM_LOGP>
-3.9291778096666667

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.45550895074954

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.924236502829872

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1218085450624242

> <JCHEM_POLAR_SURFACE_AREA>
209.51999999999998

> <JCHEM_REFRACTIVITY>
108.39350000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-{[2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.0^{2,4}]dec-7-en-10-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0       6.360   2.363   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       5.087   1.497   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       5.200  -0.039   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.510  -0.850   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.988  -0.419   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.101  -1.484   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       8.734  -2.980   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       7.256  -3.411   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       6.889  -4.906   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       8.002  -5.971   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       9.480  -5.541   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      10.592  -6.606   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.071  -6.175   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      12.437  -4.680   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      13.916  -4.249   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      14.282  -2.753   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      15.761  -2.322   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      16.873  -3.388   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      18.352  -2.957   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      16.507  -4.883   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      17.619  -5.949   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      15.028  -5.314   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      14.662  -6.810   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      10.226  -8.102   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      11.338  -9.167   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       8.747  -8.532   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       8.381 -10.028   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       7.635  -7.467   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       6.157  -7.898   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       6.143  -2.345   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.608  -2.459   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.560  -3.998   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       3.204  -4.727   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       3.082  -2.251   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       4.025  -1.034   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   35                                                  
CONECT    4    3    5   30                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   30                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   28                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   24                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   22                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   15   23                                                  
CONECT   23   22                                                            
CONECT   24   12   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   10   29                                                  
CONECT   29   28                                                            
CONECT   30    8    4   31                                                  
CONECT   31   30   32   34   35                                             
CONECT   32   31   33                                                       
CONECT   33   32                                                            
CONECT   34   31   35                                                       
CONECT   35   34    3   31                                                  
MASTER        0    0    0    0    0    0    0    0   35    0   78    0
END

View in JSmol

Synonyms

Value	Source
6'-O-(beta-D-Xylopyranosyl)methylcatalpol	MeSH

Chemical Formula

C₂₁H₃₂O₁₄

Average Mass

508.4730 Da

Monoisotopic Mass

508.17921 Da

IUPAC Name

2-{[2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.0^{2,4}]dec-7-en-10-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

Traditional Name

2-{[2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.0^{2,4}]dec-7-en-10-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

CAS Registry Number

Not Available

SMILES

COC1C2OC2(CO)C2C1C=COC2OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C21H32O14/c1-29-16-7-2-3-30-18(10(7)21(6-22)17(16)35-21)34-20-15(28)13(26)12(25)9(33-20)5-32-19-14(27)11(24)8(23)4-31-19/h2-3,7-20,22-28H,4-6H2,1H3

InChI Key

LOKOJGZZDJOXCS-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Scrophularia ilwensis	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

O-glycosyl compound
Disaccharide
Oxane
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Ether
Oxirane
Dialkyl ether
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
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	-3.9	ChemAxon
pKa (Strongest Acidic)	11.92	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	209.52 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	108.39 m³·mol⁻¹	ChemAxon
Polarizability	48.79 Å³	ChemAxon
Number of Rings	5	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

2340648

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

3083436

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Calis I, Zor M, Basaran AA, Wright AD, Sticher O: Karsoside and scropolioside D, two new iridoid glycosides from Scrophularia ilwensis. J Nat Prod. 1993 Apr;56(4):606-9. doi: 10.1021/np50094a022. [PubMed:8496707 ]
LOTUS database [Link]

Showing NP-Card for 2-{[2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol (NP0305360)

MOL for NP0305360 (2-{[2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol)

3D MOL for NP0305360 (2-{[2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol)

3D SDF for NP0305360 (2-{[2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol)

3D-SDF for NP0305360 (2-{[2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol)

PDB for NP0305360 (2-{[2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol)

3D PDB for NP0305360 (2-{[2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol)

SMILES for NP0305360 (2-{[2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol)

INCHI for NP0305360 (2-{[2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol)

Structure for NP0305360 (2-{[2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol)

3D Structure for NP0305360 (2-{[2-(hydroxymethyl)-5-methoxy-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-10-yl]oxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol)