NP-MRD: Showing NP-Card for (2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-{[(2e,6e)-8-{[(2e,6e)-5,8-dihydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoate (NP0263891)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-08 07:13:37 UTC

Updated at

2022-09-08 07:13:37 UTC

NP-MRD ID

NP0263891

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-{[(2e,6e)-8-{[(2e,6e)-5,8-dihydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoate

Description

Penstriatoside belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. (2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-{[(2e,6e)-8-{[(2e,6e)-5,8-dihydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoate is found in Penstemon digitalis. (2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-{[(2e,6e)-8-{[(2e,6e)-5,8-dihydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoate was first documented in 1991 (PMID: 17226149). Based on a literature review very few articles have been published on Penstriatoside.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082209132D          

 51 51  0  0  1  0            999 V2000
   -2.8579   14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   14.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   15.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   16.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   15.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   16.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   17.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   17.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   18.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   18.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   13.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   13.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    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  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  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
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 41 40  1  6  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  6  0  0  0
 44 45  1  0  0  0  0
 43 46  1  0  0  0  0
 46 47  1  1  0  0  0
 46 48  1  0  0  0  0
 48 49  1  6  0  0  0
 48 50  1  0  0  0  0
 41 50  1  0  0  0  0
 50 51  1  1  0  0  0
M  END

     RDKit          3D

105105  0  0  0  0  0  0  0  0999 V2000
   -0.4743    0.0895    2.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0798   -0.5651    1.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0753   -1.2198    1.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9370   -1.2968    2.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2957   -0.6912    2.2371 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2519    0.6724    1.9104 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1132   -1.3308    1.1779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250   -1.2194   -0.2756 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1764   -2.0535    1.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0527   -2.7264    0.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3640   -2.2483    0.7371 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7976   -0.9661    0.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9946   -0.0573    0.2996 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2303   -0.6532    0.7807 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1944   -1.7135    1.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6611    0.5858    0.6386 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0934    0.8688    0.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7886    1.4182   -0.3444 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1168    1.7281   -0.0192 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7797    0.5379   -1.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5028    0.1249   -2.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9223    0.1034   -2.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0198   -0.7882   -3.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6737   -1.9901   -2.8945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9025   -0.4967   -0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4341   -1.0992   -1.0659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0435    0.0414   -0.2829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1745    0.5486   -0.6358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8394    1.3095    0.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1036    2.5866    0.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7526    3.3066   -0.8517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7481    3.3477    1.5147 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8995    4.4199    1.8592 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0780    3.9183    1.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9863    2.8067    0.7721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5921    2.8552   -0.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3925    3.9894   -1.2971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4747    1.7715   -0.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0871    1.7938   -1.8980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7305    0.6455   -0.0046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5921   -0.3788   -0.4199 C   0  0  2  0  0  0  0  0  0  0  0  0
  -10.6095   -0.5643    0.4754 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5271   -1.5232    0.1587 C   0  0  2  0  0  0  0  0  0  0  0  0
  -11.6371   -2.6560    1.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9927   -2.2355    2.4261 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3096   -2.1480   -1.2017 C   0  0  1  0  0  0  0  0  0  0  0  0
  -11.8171   -1.3073   -2.2208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8899   -2.5473   -1.4570 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.6585   -3.9047   -1.2689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9038   -1.7081   -0.6515 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.7532   -1.5893   -1.4273 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2763    0.7380    2.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4606    0.5854    2.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6761   -0.7169    3.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3360   -1.7098    0.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1240   -2.4083    2.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4054   -1.0150    3.2703 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7712   -0.7869    3.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5861    1.1832    2.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4082   -2.1370   -0.7240 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0999   -0.3893   -0.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7387   -0.9100   -0.8466 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3455   -2.1089    2.6468 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7008   -2.6240   -0.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0921   -3.8046    0.9007 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0704   -1.7660    0.4602 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6936   -2.7101    1.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5612   -1.5491    2.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0162    1.4008    0.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6289    0.0108    1.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1164    1.6892    1.6334 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3055    2.3989   -0.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2078    2.6770    0.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5510    0.2406   -3.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3050   -0.9154   -1.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6507    0.8014   -1.8655 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8444    0.4387   -1.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0411   -1.0622   -3.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5958   -0.2346   -4.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5849   -1.7398   -2.5455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0577    1.3115   -1.4787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9859   -0.1562   -0.9877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0963    0.7898    1.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3505    2.8589   -1.6715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0929    4.3768   -0.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6766    3.2502   -1.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8420    2.7372    2.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3856    5.1349    2.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4699    4.4390    2.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9252    4.6635    0.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0972    1.9999    1.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9127    3.7992   -2.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9443    4.9041   -0.9213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3655    4.2288   -1.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0015   -0.0773   -1.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5401   -1.0264    0.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4127   -3.3662    0.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7080   -3.2432    1.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5399   -2.8530    3.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9339   -3.0648   -1.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3676   -1.8041   -2.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7040   -2.3334   -2.5501 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1389   -4.4452   -1.9291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7336   -2.2337    0.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0202   -1.2580   -2.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
 21 20  1  0
 20 22  2  0
 22 23  1  0
 23 24  1  0
 20 18  1  0
 18 19  1  0
 18 17  1  0
 17 16  1  0
 16 14  2  0
 14 15  1  0
 14 12  1  0
 12 13  2  0
 12 11  1  0
 11 10  1  0
 10  9  1  0
  9  7  2  0
  7  8  1  0
  7  5  1  0
  5  6  1  0
  5  4  1  0
  4  3  1  0
  3  2  2  0
  2  1  1  0
  2 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 36 38  1  0
 38 39  2  0
 38 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 43 46  1  0
 46 47  1  0
 46 48  1  0
 48 49  1  0
 48 50  1  0
 50 51  1  0
 50 41  1  0
 21 74  1  0
 21 75  1  0
 21 76  1  0
 22 77  1  0
 23 78  1  0
 23 79  1  0
 24 80  1  0
 18 72  1  6
 19 73  1  0
 17 70  1  0
 17 71  1  0
 16 69  1  0
 15 66  1  0
 15 67  1  0
 15 68  1  0
 10 64  1  0
 10 65  1  0
  9 63  1  0
  8 60  1  0
  8 61  1  0
  8 62  1  0
  5 58  1  1
  6 59  1  0
  4 56  1  0
  4 57  1  0
  3 55  1  0
  1 52  1  0
  1 53  1  0
  1 54  1  0
 28 81  1  0
 28 82  1  0
 29 83  1  0
 31 84  1  0
 31 85  1  0
 31 86  1  0
 32 87  1  1
 33 88  1  0
 34 89  1  0
 34 90  1  0
 35 91  1  0
 37 92  1  0
 37 93  1  0
 37 94  1  0
 41 95  1  6
 43 96  1  6
 44 97  1  0
 44 98  1  0
 45 99  1  0
 46100  1  1
 47101  1  0
 48102  1  6
 49103  1  0
 50104  1  1
 51105  1  0
M  END


  Mrv1652309082209132D          

 51 51  0  0  1  0            999 V2000
   -2.8579   14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   14.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   15.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   16.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   15.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   16.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   17.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   17.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   18.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   18.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   13.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   13.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    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  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  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
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 41 40  1  6  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  6  0  0  0
 44 45  1  0  0  0  0
 43 46  1  0  0  0  0
 46 47  1  1  0  0  0
 46 48  1  0  0  0  0
 48 49  1  6  0  0  0
 48 50  1  0  0  0  0
 41 50  1  0  0  0  0
 50 51  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0263891

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C(=C/CO)C(O)C\C=C(/C)C(=O)OC\C=C(/C)C(O)C\C=C(/C)C(=O)OC\C=C(/C)C(O)C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C36H54O15/c1-20(13-16-37)26(39)10-7-23(4)33(45)48-17-14-21(2)27(40)11-8-24(5)34(46)49-18-15-22(3)28(41)12-9-25(6)35(47)51-36-32(44)31(43)30(42)29(19-38)50-36/h7-9,13-15,26-32,36-44H,10-12,16-19H2,1-6H3/b20-13+,21-14+,22-15+,23-7+,24-8+,25-9+/t26?,27?,28?,29-,30-,31+,32-,36+/m1/s1

> <INCHI_KEY>
YHNWMGYNUILLEI-BFJYVUHQSA-N

> <FORMULA>
C36H54O15

> <MOLECULAR_WEIGHT>
726.813

> <EXACT_MASS>
726.346271039

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
105

> <JCHEM_AVERAGE_POLARIZABILITY>
78.39960899302432

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E,6E)-8-{[(2E,6E)-8-{[(2E,6E)-5,8-dihydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoate

> <JCHEM_LOGP>
1.150668640000001

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.145288214936738

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.18991274326608

> <JCHEM_PKA_STRONGEST_BASIC>
-2.5275857370355395

> <JCHEM_POLAR_SURFACE_AREA>
249.96999999999994

> <JCHEM_REFRACTIVITY>
188.69120000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
22

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E,6E)-8-{[(2E,6E)-8-{[(2E,6E)-5,8-dihydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoate

> <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      -5.335  27.720   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.001  26.950   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.667  27.720   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667  29.260   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  30.030   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       0.000  29.260   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -1.334  31.570   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667  32.340   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000  32.340   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000  33.880   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       1.334  34.650   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -4.001  25.410   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -5.335  24.640   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -2.667  24.640   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -2.667  23.100   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.334  22.330   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.334  20.790   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.667  20.020   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.000  20.020   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.334  20.790   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       0.000  18.480   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.334  17.710   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.334  16.170   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.000  15.400   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.667  15.400   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       4.001  16.170   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       2.667  13.860   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       4.001  13.090   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.001  11.550   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.667  10.780   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.334  11.550   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.667   9.240   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       4.001   8.470   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       1.334   8.470   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   12                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10                                                            
CONECT   12    2   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41                                                       
CONECT   41   40   42   50                                                  
CONECT   42   41   43                                                       
CONECT   43   42   44   46                                                  
CONECT   44   43   45                                                       
CONECT   45   44                                                            
CONECT   46   43   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46   49   50                                                  
CONECT   49   48                                                            
CONECT   50   48   41   51                                                  
CONECT   51   50                                                            
MASTER        0    0    0    0    0    0    0    0   51    0  102    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₅₄O₁₅

Average Mass

726.8130 Da

Monoisotopic Mass

726.34627 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C\C(=C/CO)C(O)C\C=C(/C)C(=O)OC\C=C(/C)C(O)C\C=C(/C)C(=O)OC\C=C(/C)C(O)C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C36H54O15/c1-20(13-16-37)26(39)10-7-23(4)33(45)48-17-14-21(2)27(40)11-8-24(5)34(46)49-18-15-22(3)28(41)12-9-25(6)35(47)51-36-32(44)31(43)30(42)29(19-38)50-36/h7-9,13-15,26-32,36-44H,10-12,16-19H2,1-6H3/b20-13+,21-14+,22-15+,23-7+,24-8+,25-9+/t26?,27?,28?,29-,30-,31+,32-,36+/m1/s1

InChI Key

YHNWMGYNUILLEI-BFJYVUHQSA-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
Penstemon digitalis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Terpene glycosides

Alternative Parents

Substituents

Terpene glycoside
Fatty acyl glycoside
Fatty acyl glycoside of mono- or disaccharide
Alkyl glycoside
Fatty alcohol ester
Hexose monosaccharide
Monocyclic monoterpenoid
Monoterpenoid
Fatty alcohol
Tricarboxylic acid or derivatives
Fatty acid ester
Oxane
Monosaccharide
Fatty acyl
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Secondary alcohol
Carboxylic acid ester
Carboxylic acid derivative
Polyol
Oxacycle
Acetal
Organoheterocyclic compound
Organooxygen compound
Primary alcohol
Alcohol
Organic oxide
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
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

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

101612268

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Teborg D, Steigel A, Junior P: 5''-Hydroxydigipenstroside and Penstriatoside: Novel Dimeric and Trimeric Open-Chain Monoterpene Glucosides from Penstemon digitalis*. Planta Med. 1991 Apr;57(2):187-9. doi: 10.1055/s-2006-960063. [PubMed:17226149 ]
LOTUS database [Link]

Showing NP-Card for (2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-{[(2e,6e)-8-{[(2e,6e)-5,8-dihydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoate (NP0263891)

MOL for NP0263891 ((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-{[(2e,6e)-8-{[(2e,6e)-5,8-dihydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoate)

3D MOL for NP0263891 ((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-{[(2e,6e)-8-{[(2e,6e)-5,8-dihydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoate)

3D SDF for NP0263891 ((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-{[(2e,6e)-8-{[(2e,6e)-5,8-dihydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoate)

3D-SDF for NP0263891 ((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-{[(2e,6e)-8-{[(2e,6e)-5,8-dihydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoate)

PDB for NP0263891 ((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-{[(2e,6e)-8-{[(2e,6e)-5,8-dihydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoate)

3D PDB for NP0263891 ((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-{[(2e,6e)-8-{[(2e,6e)-5,8-dihydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoate)

SMILES for NP0263891 ((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-{[(2e,6e)-8-{[(2e,6e)-5,8-dihydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoate)

INCHI for NP0263891 ((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-{[(2e,6e)-8-{[(2e,6e)-5,8-dihydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoate)

Structure for NP0263891 ((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-{[(2e,6e)-8-{[(2e,6e)-5,8-dihydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoate)

3D Structure for NP0263891 ((2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e,6e)-8-{[(2e,6e)-8-{[(2e,6e)-5,8-dihydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoyl]oxy}-5-hydroxy-2,6-dimethylocta-2,6-dienoate)