NP-MRD: Showing NP-Card for 4-{2-[5-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}-5h-furan-2-one (NP0203790)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-04 23:20:01 UTC

Updated at

2022-09-04 23:20:01 UTC

NP-MRD ID

NP0203790

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-{2-[5-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}-5h-furan-2-one

Description

4-{2-[5-({[3,4-Dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]ethyl}-2,5-dihydrofuran-2-one belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated. 4-{2-[5-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}-5h-furan-2-one is found in Melodinus monogynus. 4-{2-[5-({[3,4-Dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]ethyl}-2,5-dihydrofuran-2-one is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004241501432D          

 45 49  0  0  0  0            999 V2000
    0.8986   -2.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9592   -2.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7717   -2.1387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3020   -2.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1145   -2.6275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6448   -3.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4572   -3.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -3.7482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3626   -4.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8929   -4.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6107   -5.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7983   -5.5852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5161   -6.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7036   -6.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4215   -7.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0464   -6.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7642   -7.7677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8589   -6.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3892   -7.4811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1410   -6.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9535   -5.9306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5501   -4.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2680   -4.9532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0198   -3.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2074   -3.6892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  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    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4760    2.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    3.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2460    3.9995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    3.3320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109    2.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    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  1  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
  7 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
 14 17  1  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
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  5 25  1  0  0  0  0
 25 26  1  0  0  0  0
  2 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  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
 33 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
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 35 40  1  0  0  0  0
 32 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
  2 45  1  0  0  0  0
 30 45  1  0  0  0  0
M  END

     RDKit          3D

 95 99  0  0  0  0  0  0  0  0999 V2000
    4.8102    0.0394    2.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996   -0.0719    1.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1246   -0.8136    1.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855   -0.3487    0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    1.1517    0.0217 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3192    1.3380   -0.4236 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6533    0.9486   -1.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6673    2.8040   -0.2726 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4797    3.6978   -0.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3778    3.2670   -1.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8161    1.9020   -0.6302 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8343    2.3899    0.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0668    1.2735   -1.7408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2111    0.2541   -1.6182 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0232    0.3423   -1.1023 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9968    0.0281   -2.1265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1841    0.6069   -1.6229 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1188    0.7573   -2.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4235   -0.4893   -3.3282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7510   -0.2052   -0.5244 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7865    0.4376    0.1044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9215   -0.4012    0.3103 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.0137   -0.4668    1.6898 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1772   -0.8769    2.2400 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.3596   -2.3559    2.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3192   -3.0736    1.2153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4074   -0.2377    1.6289 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.5149   -0.8256    2.2237 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3680   -0.4123    0.1523 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.4646    0.1904   -0.4649 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0856    0.2597   -0.3555 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.0775   -0.0283   -1.7263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6893   -0.4366    0.5680 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6160    0.6125    1.4611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3162   -0.6532   -0.0314 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2364   -1.9273   -0.6390 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1780    0.5122    0.5362 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0189   -0.5149   -0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8539   -1.3037    0.9043 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6568   -2.3016    0.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9768   -2.3914    0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3918   -3.4882   -0.7182 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5551   -3.8908   -0.9949 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2551   -4.0928   -1.2261 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1530   -3.3932   -0.7161 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7348    0.5732    3.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2976   -0.3563    3.7647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3735   -0.5284    2.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2462   -1.9048    1.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5384   -0.5389   -0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -0.8035   -0.7026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9404    1.5192    1.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7378    1.2442   -1.9579 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1256    1.4939   -2.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5455   -0.1204   -2.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1744    2.9171    0.7082 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4078    3.1304   -1.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8488    4.7090   -0.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1197    3.8722    0.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5776    3.2172   -2.2360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5590    4.0348   -1.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3916    2.9885    1.1999 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1192    3.0591   -0.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2876    1.5659    0.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5566    2.1687   -2.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7778    0.9488   -2.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2734    1.3648   -0.7707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9378    1.6333   -1.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5018    1.2720   -3.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9874    1.3819   -2.5612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4238   -0.4764   -4.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9803   -1.2354   -0.8833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6240   -1.3751   -0.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1737   -0.4852    3.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3732   -2.5136    2.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5781   -2.7076    3.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4569   -3.6002    1.2185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3588    0.8508    1.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3284   -0.5265    1.7275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3185   -1.4650   -0.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2372    0.3091   -1.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0669    1.3301   -0.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3854    0.7926   -2.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9636   -1.3511    1.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1480    0.4015    2.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5851   -0.6181    0.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8669   -2.4946   -0.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8974    1.2522    1.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -0.0328   -0.7786 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5377   -1.2703   -0.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4562   -0.6480    1.5283 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1344   -1.9132    1.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6557   -1.7353    0.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5828   -4.1261   -0.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4961   -3.0157   -1.5254 H   0  0  0  0  0  0  0  0  0  0  0  0
 11 12  1  1
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 20 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 11 10  1  0
 10  9  1  0
  9  8  1  0
  8  6  1  0
  6  7  1  6
  6 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  1  0
 37  2  1  0
  2  1  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5 11  1  0
 35 15  1  0
  5  6  1  0
 31 22  1  0
 45 40  1  0
 12 62  1  0
 12 63  1  0
 12 64  1  0
 13 65  1  0
 13 66  1  0
 15 67  1  1
 17 68  1  1
 18 69  1  0
 18 70  1  0
 19 71  1  0
 20 72  1  6
 22 73  1  6
 24 74  1  1
 25 75  1  0
 25 76  1  0
 26 77  1  0
 27 78  1  6
 28 79  1  0
 29 80  1  1
 30 81  1  0
 31 82  1  6
 32 83  1  0
 33 84  1  1
 34 85  1  0
 35 86  1  1
 36 87  1  0
 10 60  1  0
 10 61  1  0
  9 58  1  0
  9 59  1  0
  8 56  1  0
  8 57  1  0
  7 53  1  0
  7 54  1  0
  7 55  1  0
 37 88  1  1
 38 89  1  0
 38 90  1  0
 39 91  1  0
 39 92  1  0
 41 93  1  0
 45 94  1  0
 45 95  1  0
  1 46  1  0
  1 47  1  0
  3 48  1  0
  3 49  1  0
  4 50  1  0
  4 51  1  0
  5 52  1  1
M  END


  Mrv1533004241501432D          

 45 49  0  0  0  0            999 V2000
    0.8986   -2.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9592   -2.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7717   -2.1387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3020   -2.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1145   -2.6275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6448   -3.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4572   -3.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9875   -3.7482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3626   -4.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8929   -4.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6107   -5.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7983   -5.5852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5161   -6.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7036   -6.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4215   -7.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0464   -6.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7642   -7.7677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8589   -6.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3892   -7.4811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1410   -6.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9535   -5.9306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5501   -4.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2680   -4.9532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0198   -3.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2074   -3.6892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  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    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4760    2.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    3.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2460    3.9995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    3.3320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109    2.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    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  1  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
  7 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
 14 17  1  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
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
  5 25  1  0  0  0  0
 25 26  1  0  0  0  0
  2 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  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
 33 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
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 35 40  1  0  0  0  0
 32 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
  2 45  1  0  0  0  0
 30 45  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0203790

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(COC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)CCCC2(C)C(CCC3=CC(=O)OC3)C(=C)CCC12

> <INCHI_IDENTIFIER>
InChI=1S/C32H50O13/c1-16-5-8-21-31(2,9-4-10-32(21,3)18(16)7-6-17-11-22(35)41-14-17)15-42-29-27(40)25(38)28(20(13-34)44-29)45-30-26(39)24(37)23(36)19(12-33)43-30/h11,18-21,23-30,33-34,36-40H,1,4-10,12-15H2,2-3H3

> <INCHI_KEY>
MNNAZMRVPBGURT-UHFFFAOYSA-N

> <FORMULA>
C32H50O13

> <MOLECULAR_WEIGHT>
642.739

> <EXACT_MASS>
642.32514167

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
95

> <JCHEM_AVERAGE_POLARIZABILITY>
67.1710442566237

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-{2-[5-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]ethyl}-2,5-dihydrofuran-2-one

> <ALOGPS_LOGP>
-0.01

> <JCHEM_LOGP>
0.27417583766666626

> <ALOGPS_LOGS>
-3.05

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.939971786994231

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.470891160147041

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810835652988272

> <JCHEM_POLAR_SURFACE_AREA>
204.82999999999998

> <JCHEM_REFRACTIVITY>
156.805

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.79e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-{2-[5-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-5,8a-dimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]ethyl}-5H-furan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0       1.677  -4.260   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.657  -4.260   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       5.174  -3.992   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       6.164  -5.172   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       7.680  -4.905   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       8.670  -6.084   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.187  -5.817   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      11.177  -6.997   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       8.144  -7.531   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       9.133  -8.711   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       8.607 -10.158   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       7.090 -10.426   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       6.563 -11.873   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.047 -12.140   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       4.520 -13.587   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       7.553 -13.053   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       7.027 -14.500   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       9.070 -12.785   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      10.060 -13.965   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       9.597 -11.338   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      11.113 -11.071   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       6.627  -7.799   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       6.100  -9.246   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       5.637  -6.619   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       4.120  -6.887   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.001   0.770   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.755   4.755   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       3.231   6.220   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       2.326   7.466   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       4.771   6.220   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       5.247   4.755   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   27   45                                             
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   25                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   10                                                  
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    7   11   23                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   21                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   17                                                  
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17   14   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   12   22                                                  
CONECT   22   21                                                            
CONECT   23   10   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23    5   26                                                  
CONECT   26   25                                                            
CONECT   27    2   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32   45                                             
CONECT   31   30                                                            
CONECT   32   30   33   41                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   40                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39   35                                                       
CONECT   41   32   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44    2   30                                                  
MASTER        0    0    0    0    0    0    0    0   45    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₅₀O₁₃

Average Mass

642.7390 Da

Monoisotopic Mass

642.32514 Da

IUPAC Name

4-{2-[5-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-5,8a-dimethyl-2-methylidene-decahydronaphthalen-1-yl]ethyl}-2,5-dihydrofuran-2-one

Traditional Name

4-{2-[5-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-5,8a-dimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]ethyl}-5H-furan-2-one

CAS Registry Number

Not Available

SMILES

CC1(COC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)CCCC2(C)C(CCC3=CC(=O)OC3)C(=C)CCC12

InChI Identifier

InChI=1S/C32H50O13/c1-16-5-8-21-31(2,9-4-10-32(21,3)18(16)7-6-17-11-22(35)41-14-17)15-42-29-27(40)25(38)28(20(13-34)44-29)45-30-26(39)24(37)23(36)19(12-33)43-30/h11,18-21,23-30,33-34,36-40H,1,4-10,12-15H2,2-3H3

InChI Key

MNNAZMRVPBGURT-UHFFFAOYSA-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
Melodinus monogynus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Diterpene glycosides

Alternative Parents

Substituents

Diterpene glycoside
Diterpene lactone
Diterpenoid
Clerodane diterpenoid
Disaccharide
Glycosyl compound
O-glycosyl compound
2-furanone
Oxane
Dihydrofuran
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Secondary alcohol
Lactone
Carboxylic acid ester
Polyol
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organoheterocyclic compound
Oxacycle
Acetal
Primary alcohol
Organic oxide
Hydrocarbon derivative
Alcohol
Carbonyl group
Organic oxygen compound
Organooxygen compound
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	-0.01	ALOGPS
logP	0.27	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	7.47	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	204.83 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	156.8 m³·mol⁻¹	ChemAxon
Polarizability	67.17 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

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

14137593

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4-{2-[5-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}-5h-furan-2-one (NP0203790)

MOL for NP0203790 (4-{2-[5-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}-5h-furan-2-one)

3D MOL for NP0203790 (4-{2-[5-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}-5h-furan-2-one)

3D SDF for NP0203790 (4-{2-[5-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}-5h-furan-2-one)

3D-SDF for NP0203790 (4-{2-[5-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}-5h-furan-2-one)

PDB for NP0203790 (4-{2-[5-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}-5h-furan-2-one)

3D PDB for NP0203790 (4-{2-[5-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}-5h-furan-2-one)

SMILES for NP0203790 (4-{2-[5-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}-5h-furan-2-one)

INCHI for NP0203790 (4-{2-[5-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}-5h-furan-2-one)

Structure for NP0203790 (4-{2-[5-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}-5h-furan-2-one)

3D Structure for NP0203790 (4-{2-[5-({[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-5,8a-dimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]ethyl}-5h-furan-2-one)