NP-MRD: Showing NP-Card for sarcaglaboside D (NP0032050)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2021-06-19 22:57:31 UTC

Updated at

2021-06-30 00:01:00 UTC

NP-MRD ID

NP0032050

Secondary Accession Numbers

None

Natural Product Identification

Common Name

sarcaglaboside D

Provided By

JEOL Database JEOL Logo

Description

sarcaglaboside D is found in Sarcandra glabra. sarcaglaboside D was first documented in 2006 (Li, Y., et al.).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306202100573D          

 76 79  0  0  0  0            999 V2000
    5.5407   -0.4928    0.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2942   -0.9495    0.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2537   -0.4949   -0.6126 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9256   -1.7437   -1.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8314    0.6095   -1.5579 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7956    1.1441   -2.5397 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2859    2.2769   -3.2512 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4225    3.3172   -3.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5115    4.4030   -3.6170 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3794    2.9269   -2.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3368    3.8737   -1.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6238    1.6545   -1.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9477    0.7289   -0.8529 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9698    0.0903    0.1293 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2738   -0.8510    1.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5611   -0.7811    2.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2345   -1.8298    0.6367 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9846   -1.1179    0.4489 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9607   -1.8987   -0.2478 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5602   -2.1007   -1.5992 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5236   -2.8446   -2.3686 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9603   -3.0296   -3.7873 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7673   -1.7472   -4.3965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2086   -1.8557   -5.7108 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1499   -2.3229   -5.6036 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0277   -1.1950   -5.7954 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1648    0.0607   -5.6859 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0365    0.3815   -4.2935 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7982    1.2900   -6.3404 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9557    1.1329   -7.7475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1378   -0.4431   -6.3200 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0986   -0.5380   -7.7482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8873   -2.1355   -2.3920 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8692   -2.9509   -3.0397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3534   -1.8481   -0.9638 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5632   -1.0748   -1.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2743   -1.1019   -0.1889 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7158   -0.9188    1.1660 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1695   -0.9205    1.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9793    0.3009    0.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9735   -1.7581    1.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7813   -2.0269   -2.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0748   -1.5827   -2.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6954   -2.6150   -0.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6933    0.2318   -2.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2194    1.4506   -0.9648 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5154    0.3816   -3.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2478    4.2313   -2.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7914    4.7388   -1.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3578    3.4126   -0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1722    1.2554   -0.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4432   -0.0426   -1.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3499    0.9375    0.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0683   -1.4186    3.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2936   -0.0776    2.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586   -2.3032   -0.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0647   -2.6276    1.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0723   -2.8618    0.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6280   -3.8432   -1.9239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6412   -3.6306   -4.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9925   -3.5393   -3.7195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7905   -2.5490   -6.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8087   -1.2407   -5.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4874   -1.3078   -6.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5322   -0.3645   -3.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1752    2.1740   -6.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7801    1.4924   -5.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4279    1.9287   -8.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0016    0.1656   -6.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4360    0.1090   -8.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8294   -1.1906   -2.9461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7197   -2.4882   -2.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6206   -2.7818   -0.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7033   -0.7656   -0.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1374   -0.0977   -0.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -0.5249    1.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0  0  0  0
  6 12  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
 37 38  1  0  0  0  0
 12 10  2  0  0  0  0
 10  8  1  0  0  0  0
  8  7  1  0  0  0  0
  7  6  1  0  0  0  0
 22 23  1  0  0  0  0
  6 47  1  6  0  0  0
 19 37  1  0  0  0  0
  3  4  1  0  0  0  0
 37 35  1  0  0  0  0
 14 53  1  1  0  0  0
 35 33  1  0  0  0  0
 10 11  1  0  0  0  0
  1  2  2  3  0  0  0
  8  9  2  0  0  0  0
 16 15  2  3  0  0  0
 15 14  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  3  2  1  1  0  0  0
  3 14  1  0  0  0  0
 33 21  1  0  0  0  0
 21 20  1  0  0  0  0
 20 19  1  0  0  0  0
 27 31  1  0  0  0  0
 31 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  1  0  0  0
  3  5  1  0  0  0  0
 31 32  1  0  0  0  0
 14 13  1  0  0  0  0
 27 29  1  0  0  0  0
 13 12  1  0  0  0  0
 29 30  1  0  0  0  0
 24 23  1  0  0  0  0
 21 22  1  0  0  0  0
 19 18  1  0  0  0  0
 19 58  1  1  0  0  0
 33 71  1  6  0  0  0
 34 72  1  0  0  0  0
 35 73  1  1  0  0  0
 36 74  1  0  0  0  0
 37 75  1  6  0  0  0
 38 76  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 21 59  1  1  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2 41  1  0  0  0  0
 13 51  1  0  0  0  0
 13 52  1  0  0  0  0
  5 45  1  0  0  0  0
  5 46  1  0  0  0  0
  4 42  1  0  0  0  0
  4 43  1  0  0  0  0
  4 44  1  0  0  0  0
 11 48  1  0  0  0  0
 11 49  1  0  0  0  0
 11 50  1  0  0  0  0
 16 54  1  0  0  0  0
 16 55  1  0  0  0  0
 17 56  1  0  0  0  0
 17 57  1  0  0  0  0
 31 69  1  6  0  0  0
 24 62  1  6  0  0  0
 26 63  1  0  0  0  0
 26 64  1  0  0  0  0
 28 65  1  0  0  0  0
 32 70  1  0  0  0  0
 29 66  1  0  0  0  0
 29 67  1  0  0  0  0
 30 68  1  0  0  0  0
M  END

     RDKit          3D

 76 79  0  0  0  0  0  0  0  0999 V2000
    5.5407   -0.4928    0.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2942   -0.9495    0.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2537   -0.4949   -0.6126 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9256   -1.7437   -1.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8314    0.6095   -1.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7956    1.1441   -2.5397 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2859    2.2769   -3.2512 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4225    3.3172   -3.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5115    4.4030   -3.6170 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3794    2.9269   -2.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3368    3.8737   -1.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6238    1.6545   -1.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9477    0.7289   -0.8529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9698    0.0903    0.1293 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2738   -0.8510    1.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5611   -0.7811    2.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2345   -1.8298    0.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9846   -1.1179    0.4489 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9607   -1.8987   -0.2478 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5602   -2.1007   -1.5992 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5236   -2.8446   -2.3686 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9603   -3.0296   -3.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7673   -1.7472   -4.3965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2086   -1.8557   -5.7108 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1499   -2.3229   -5.6036 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0277   -1.1950   -5.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1648    0.0607   -5.6859 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0365    0.3815   -4.2935 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7982    1.2900   -6.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9557    1.1329   -7.7475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1378   -0.4431   -6.3200 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0986   -0.5380   -7.7482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8873   -2.1355   -2.3920 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8692   -2.9509   -3.0397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3534   -1.8481   -0.9638 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5632   -1.0748   -1.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2743   -1.1019   -0.1889 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7158   -0.9188    1.1660 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1695   -0.9205    1.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9793    0.3009    0.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9735   -1.7581    1.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7813   -2.0269   -2.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0748   -1.5827   -2.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6954   -2.6150   -0.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6933    0.2318   -2.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2194    1.4506   -0.9648 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5154    0.3816   -3.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2478    4.2313   -2.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7914    4.7388   -1.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3578    3.4126   -0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1722    1.2554   -0.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4432   -0.0426   -1.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3499    0.9375    0.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0683   -1.4186    3.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2936   -0.0776    2.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586   -2.3032   -0.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0647   -2.6276    1.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0723   -2.8618    0.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6280   -3.8432   -1.9239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6412   -3.6306   -4.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9925   -3.5393   -3.7195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7905   -2.5490   -6.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8087   -1.2407   -5.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4874   -1.3078   -6.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5322   -0.3645   -3.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1752    2.1740   -6.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7801    1.4924   -5.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4279    1.9287   -8.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0016    0.1656   -6.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4360    0.1090   -8.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8294   -1.1906   -2.9461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7197   -2.4882   -2.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6206   -2.7818   -0.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7033   -0.7656   -0.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1374   -0.0977   -0.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -0.5249    1.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0
  6 12  1  0
 33 34  1  0
 35 36  1  0
 37 38  1  0
 12 10  2  0
 10  8  1  0
  8  7  1  0
  7  6  1  0
 22 23  1  0
  6 47  1  6
 19 37  1  0
  3  4  1  0
 37 35  1  0
 14 53  1  1
 35 33  1  0
 10 11  1  0
  1  2  2  3
  8  9  2  0
 16 15  2  3
 15 14  1  0
 15 17  1  0
 17 18  1  0
  3  2  1  1
  3 14  1  0
 33 21  1  0
 21 20  1  0
 20 19  1  0
 27 31  1  0
 31 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  1
  3  5  1  0
 31 32  1  0
 14 13  1  0
 27 29  1  0
 13 12  1  0
 29 30  1  0
 24 23  1  0
 21 22  1  0
 19 18  1  0
 19 58  1  1
 33 71  1  6
 34 72  1  0
 35 73  1  1
 36 74  1  0
 37 75  1  6
 38 76  1  0
 22 60  1  0
 22 61  1  0
 21 59  1  1
  1 39  1  0
  1 40  1  0
  2 41  1  0
 13 51  1  0
 13 52  1  0
  5 45  1  0
  5 46  1  0
  4 42  1  0
  4 43  1  0
  4 44  1  0
 11 48  1  0
 11 49  1  0
 11 50  1  0
 16 54  1  0
 16 55  1  0
 17 56  1  0
 17 57  1  0
 31 69  1  6
 24 62  1  6
 26 63  1  0
 26 64  1  0
 28 65  1  0
 32 70  1  0
 29 66  1  0
 29 67  1  0
 30 68  1  0
M  END


  Mrv1652306202100573D          

 76 79  0  0  0  0            999 V2000
    5.5407   -0.4928    0.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2942   -0.9495    0.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2537   -0.4949   -0.6126 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9256   -1.7437   -1.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8314    0.6095   -1.5579 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7956    1.1441   -2.5397 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2859    2.2769   -3.2512 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4225    3.3172   -3.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5115    4.4030   -3.6170 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3794    2.9269   -2.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3368    3.8737   -1.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6238    1.6545   -1.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9477    0.7289   -0.8529 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9698    0.0903    0.1293 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2738   -0.8510    1.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5611   -0.7811    2.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2345   -1.8298    0.6367 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9846   -1.1179    0.4489 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9607   -1.8987   -0.2478 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5602   -2.1007   -1.5992 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5236   -2.8446   -2.3686 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9603   -3.0296   -3.7873 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7673   -1.7472   -4.3965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2086   -1.8557   -5.7108 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1499   -2.3229   -5.6036 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0277   -1.1950   -5.7954 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1648    0.0607   -5.6859 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0365    0.3815   -4.2935 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7982    1.2900   -6.3404 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9557    1.1329   -7.7475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1378   -0.4431   -6.3200 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0986   -0.5380   -7.7482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8873   -2.1355   -2.3920 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8692   -2.9509   -3.0397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3534   -1.8481   -0.9638 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5632   -1.0748   -1.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2743   -1.1019   -0.1889 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7158   -0.9188    1.1660 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1695   -0.9205    1.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9793    0.3009    0.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9735   -1.7581    1.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7813   -2.0269   -2.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0748   -1.5827   -2.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6954   -2.6150   -0.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6933    0.2318   -2.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2194    1.4506   -0.9648 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5154    0.3816   -3.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2478    4.2313   -2.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7914    4.7388   -1.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3578    3.4126   -0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1722    1.2554   -0.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4432   -0.0426   -1.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3499    0.9375    0.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0683   -1.4186    3.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2936   -0.0776    2.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586   -2.3032   -0.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0647   -2.6276    1.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0723   -2.8618    0.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6280   -3.8432   -1.9239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6412   -3.6306   -4.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9925   -3.5393   -3.7195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7905   -2.5490   -6.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8087   -1.2407   -5.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4874   -1.3078   -6.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5322   -0.3645   -3.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1752    2.1740   -6.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7801    1.4924   -5.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4279    1.9287   -8.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0016    0.1656   -6.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4360    0.1090   -8.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8294   -1.1906   -2.9461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7197   -2.4882   -2.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6206   -2.7818   -0.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7033   -0.7656   -0.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1374   -0.0977   -0.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -0.5249    1.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0  0  0  0
  6 12  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
 37 38  1  0  0  0  0
 12 10  2  0  0  0  0
 10  8  1  0  0  0  0
  8  7  1  0  0  0  0
  7  6  1  0  0  0  0
 22 23  1  0  0  0  0
  6 47  1  6  0  0  0
 19 37  1  0  0  0  0
  3  4  1  0  0  0  0
 37 35  1  0  0  0  0
 14 53  1  1  0  0  0
 35 33  1  0  0  0  0
 10 11  1  0  0  0  0
  1  2  2  3  0  0  0
  8  9  2  0  0  0  0
 16 15  2  3  0  0  0
 15 14  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  3  2  1  1  0  0  0
  3 14  1  0  0  0  0
 33 21  1  0  0  0  0
 21 20  1  0  0  0  0
 20 19  1  0  0  0  0
 27 31  1  0  0  0  0
 31 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  1  0  0  0
  3  5  1  0  0  0  0
 31 32  1  0  0  0  0
 14 13  1  0  0  0  0
 27 29  1  0  0  0  0
 13 12  1  0  0  0  0
 29 30  1  0  0  0  0
 24 23  1  0  0  0  0
 21 22  1  0  0  0  0
 19 18  1  0  0  0  0
 19 58  1  1  0  0  0
 33 71  1  6  0  0  0
 34 72  1  0  0  0  0
 35 73  1  1  0  0  0
 36 74  1  0  0  0  0
 37 75  1  6  0  0  0
 38 76  1  0  0  0  0
 22 60  1  0  0  0  0
 22 61  1  0  0  0  0
 21 59  1  1  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2 41  1  0  0  0  0
 13 51  1  0  0  0  0
 13 52  1  0  0  0  0
  5 45  1  0  0  0  0
  5 46  1  0  0  0  0
  4 42  1  0  0  0  0
  4 43  1  0  0  0  0
  4 44  1  0  0  0  0
 11 48  1  0  0  0  0
 11 49  1  0  0  0  0
 11 50  1  0  0  0  0
 16 54  1  0  0  0  0
 16 55  1  0  0  0  0
 17 56  1  0  0  0  0
 17 57  1  0  0  0  0
 31 69  1  6  0  0  0
 24 62  1  6  0  0  0
 26 63  1  0  0  0  0
 26 64  1  0  0  0  0
 28 65  1  0  0  0  0
 32 70  1  0  0  0  0
 29 66  1  0  0  0  0
 29 67  1  0  0  0  0
 30 68  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0032050

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC([H])([H])[C@]1(O[H])C([H])([H])O[C@@]([H])(OC([H])([H])[C@@]2([H])O[C@@]([H])(OC([H])([H])C(=C([H])[H])[C@]3([H])C([H])([H])C4=C(C(=O)O[C@@]4([H])C([H])([H])[C@]3(C([H])=C([H])[H])C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]1([H])O[H]

> <INCHI_IDENTIFIER>
InChI=1S/C26H38O12/c1-5-25(4)7-16-14(13(3)22(32)37-16)6-15(25)12(2)8-34-23-20(30)19(29)18(28)17(38-23)9-35-24-21(31)26(33,10-27)11-36-24/h5,15-21,23-24,27-31,33H,1-2,6-11H2,3-4H3/t15-,16-,17+,18+,19-,20+,21-,23+,24+,25+,26-/m0/s1

> <INCHI_KEY>
NYVXYMLUZXJHAU-YHCAVIDYSA-N

> <FORMULA>
C26H38O12

> <MOLECULAR_WEIGHT>
542.578

> <EXACT_MASS>
542.236326664

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
54.626582913953925

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5R,6S,7aS)-5-(3-{[(2R,3R,4S,5S,6R)-6-({[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}prop-1-en-2-yl)-6-ethenyl-3,6-dimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-one

> <ALOGPS_LOGP>
-0.56

> <JCHEM_LOGP>
-0.8340303889999994

> <ALOGPS_LOGS>
-2.30

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.284172377489853

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.693449775695472

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1423790163389214

> <JCHEM_POLAR_SURFACE_AREA>
184.6

> <JCHEM_REFRACTIVITY>
129.63080000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.69e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5R,6S,7aS)-5-(3-{[(2R,3R,4S,5S,6R)-6-({[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}prop-1-en-2-yl)-6-ethenyl-3,6-dimethyl-4,5,7,7a-tetrahydro-1-benzofuran-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 76 79  0  0  0  0  0  0  0  0999 V2000
    5.5407   -0.4928    0.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2942   -0.9495    0.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2537   -0.4949   -0.6126 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9256   -1.7437   -1.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8314    0.6095   -1.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7956    1.1441   -2.5397 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2859    2.2769   -3.2512 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4225    3.3172   -3.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5115    4.4030   -3.6170 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3794    2.9269   -2.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3368    3.8737   -1.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6238    1.6545   -1.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9477    0.7289   -0.8529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9698    0.0903    0.1293 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2738   -0.8510    1.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5611   -0.7811    2.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2345   -1.8298    0.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9846   -1.1179    0.4489 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9607   -1.8987   -0.2478 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5602   -2.1007   -1.5992 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5236   -2.8446   -2.3686 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9603   -3.0296   -3.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7673   -1.7472   -4.3965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2086   -1.8557   -5.7108 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1499   -2.3229   -5.6036 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0277   -1.1950   -5.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1648    0.0607   -5.6859 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0365    0.3815   -4.2935 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7982    1.2900   -6.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9557    1.1329   -7.7475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1378   -0.4431   -6.3200 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0986   -0.5380   -7.7482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8873   -2.1355   -2.3920 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8692   -2.9509   -3.0397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3534   -1.8481   -0.9638 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5632   -1.0748   -1.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2743   -1.1019   -0.1889 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7158   -0.9188    1.1660 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1695   -0.9205    1.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9793    0.3009    0.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9735   -1.7581    1.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7813   -2.0269   -2.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0748   -1.5827   -2.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6954   -2.6150   -0.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6933    0.2318   -2.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2194    1.4506   -0.9648 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5154    0.3816   -3.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2478    4.2313   -2.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7914    4.7388   -1.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3578    3.4126   -0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1722    1.2554   -0.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4432   -0.0426   -1.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3499    0.9375    0.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0683   -1.4186    3.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2936   -0.0776    2.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586   -2.3032   -0.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0647   -2.6276    1.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0723   -2.8618    0.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6280   -3.8432   -1.9239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6412   -3.6306   -4.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9925   -3.5393   -3.7195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7905   -2.5490   -6.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8087   -1.2407   -5.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4874   -1.3078   -6.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5322   -0.3645   -3.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1752    2.1740   -6.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7801    1.4924   -5.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4279    1.9287   -8.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0016    0.1656   -6.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4360    0.1090   -8.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8294   -1.1906   -2.9461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7197   -2.4882   -2.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6206   -2.7818   -0.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7033   -0.7656   -0.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1374   -0.0977   -0.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -0.5249    1.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0
  6 12  1  0
 33 34  1  0
 35 36  1  0
 37 38  1  0
 12 10  2  0
 10  8  1  0
  8  7  1  0
  7  6  1  0
 22 23  1  0
  6 47  1  6
 19 37  1  0
  3  4  1  0
 37 35  1  0
 14 53  1  1
 35 33  1  0
 10 11  1  0
  1  2  2  3
  8  9  2  0
 16 15  2  3
 15 14  1  0
 15 17  1  0
 17 18  1  0
  3  2  1  1
  3 14  1  0
 33 21  1  0
 21 20  1  0
 20 19  1  0
 27 31  1  0
 31 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  1
  3  5  1  0
 31 32  1  0
 14 13  1  0
 27 29  1  0
 13 12  1  0
 29 30  1  0
 24 23  1  0
 21 22  1  0
 19 18  1  0
 19 58  1  1
 33 71  1  6
 34 72  1  0
 35 73  1  1
 36 74  1  0
 37 75  1  6
 38 76  1  0
 22 60  1  0
 22 61  1  0
 21 59  1  1
  1 39  1  0
  1 40  1  0
  2 41  1  0
 13 51  1  0
 13 52  1  0
  5 45  1  0
  5 46  1  0
  4 42  1  0
  4 43  1  0
  4 44  1  0
 11 48  1  0
 11 49  1  0
 11 50  1  0
 16 54  1  0
 16 55  1  0
 17 56  1  0
 17 57  1  0
 31 69  1  6
 24 62  1  6
 26 63  1  0
 26 64  1  0
 28 65  1  0
 32 70  1  0
 29 66  1  0
 29 67  1  0
 30 68  1  0
M  END

HEADER    PROTEIN                                 20-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-JUN-21         0                                  
HETATM    1  C   UNK     0       5.541  -0.493   0.607  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.294  -0.950   0.421  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.254  -0.495  -0.613  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.926  -1.744  -1.463  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.831   0.610  -1.558  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.796   1.144  -2.540  0.00  0.00           C+0
HETATM    7  O   UNK     0       3.286   2.277  -3.251  0.00  0.00           O+0
HETATM    8  C   UNK     0       2.422   3.317  -3.073  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.511   4.403  -3.617  0.00  0.00           O+0
HETATM   10  C   UNK     0       1.379   2.927  -2.113  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.337   3.874  -1.664  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.624   1.655  -1.803  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.948   0.729  -0.853  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.970   0.090   0.129  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.274  -0.851   1.130  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.561  -0.781   2.445  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.235  -1.830   0.637  0.00  0.00           C+0
HETATM   18  O   UNK     0      -0.985  -1.118   0.449  0.00  0.00           O+0
HETATM   19  C   UNK     0      -1.961  -1.899  -0.248  0.00  0.00           C+0
HETATM   20  O   UNK     0      -1.560  -2.101  -1.599  0.00  0.00           O+0
HETATM   21  C   UNK     0      -2.524  -2.845  -2.369  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.960  -3.030  -3.787  0.00  0.00           C+0
HETATM   23  O   UNK     0      -1.767  -1.747  -4.396  0.00  0.00           O+0
HETATM   24  C   UNK     0      -1.209  -1.856  -5.711  0.00  0.00           C+0
HETATM   25  O   UNK     0       0.150  -2.323  -5.604  0.00  0.00           O+0
HETATM   26  C   UNK     0       1.028  -1.195  -5.795  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.165   0.061  -5.686  0.00  0.00           C+0
HETATM   28  O   UNK     0      -0.037   0.382  -4.293  0.00  0.00           O+0
HETATM   29  C   UNK     0       0.798   1.290  -6.340  0.00  0.00           C+0
HETATM   30  O   UNK     0       0.956   1.133  -7.747  0.00  0.00           O+0
HETATM   31  C   UNK     0      -1.138  -0.443  -6.320  0.00  0.00           C+0
HETATM   32  O   UNK     0      -1.099  -0.538  -7.748  0.00  0.00           O+0
HETATM   33  C   UNK     0      -3.887  -2.135  -2.392  0.00  0.00           C+0
HETATM   34  O   UNK     0      -4.869  -2.951  -3.040  0.00  0.00           O+0
HETATM   35  C   UNK     0      -4.353  -1.848  -0.964  0.00  0.00           C+0
HETATM   36  O   UNK     0      -5.563  -1.075  -1.010  0.00  0.00           O+0
HETATM   37  C   UNK     0      -3.274  -1.102  -0.189  0.00  0.00           C+0
HETATM   38  O   UNK     0      -3.716  -0.919   1.166  0.00  0.00           O+0
HETATM   39  H   UNK     0       6.170  -0.921   1.383  0.00  0.00           H+0
HETATM   40  H   UNK     0       5.979   0.301   0.013  0.00  0.00           H+0
HETATM   41  H   UNK     0       3.974  -1.758   1.080  0.00  0.00           H+0
HETATM   42  H   UNK     0       3.781  -2.027  -2.088  0.00  0.00           H+0
HETATM   43  H   UNK     0       2.075  -1.583  -2.131  0.00  0.00           H+0
HETATM   44  H   UNK     0       2.695  -2.615  -0.840  0.00  0.00           H+0
HETATM   45  H   UNK     0       4.693   0.232  -2.125  0.00  0.00           H+0
HETATM   46  H   UNK     0       4.219   1.451  -0.965  0.00  0.00           H+0
HETATM   47  H   UNK     0       2.515   0.382  -3.272  0.00  0.00           H+0
HETATM   48  H   UNK     0      -0.248   4.231  -2.517  0.00  0.00           H+0
HETATM   49  H   UNK     0       0.791   4.739  -1.171  0.00  0.00           H+0
HETATM   50  H   UNK     0      -0.358   3.413  -0.956  0.00  0.00           H+0
HETATM   51  H   UNK     0       0.172   1.255  -0.285  0.00  0.00           H+0
HETATM   52  H   UNK     0       0.443  -0.043  -1.444  0.00  0.00           H+0
HETATM   53  H   UNK     0       2.350   0.938   0.726  0.00  0.00           H+0
HETATM   54  H   UNK     0       1.068  -1.419   3.173  0.00  0.00           H+0
HETATM   55  H   UNK     0       2.294  -0.078   2.831  0.00  0.00           H+0
HETATM   56  H   UNK     0       0.559  -2.303  -0.293  0.00  0.00           H+0
HETATM   57  H   UNK     0       0.065  -2.628   1.370  0.00  0.00           H+0
HETATM   58  H   UNK     0      -2.072  -2.862   0.268  0.00  0.00           H+0
HETATM   59  H   UNK     0      -2.628  -3.843  -1.924  0.00  0.00           H+0
HETATM   60  H   UNK     0      -2.641  -3.631  -4.400  0.00  0.00           H+0
HETATM   61  H   UNK     0      -0.993  -3.539  -3.720  0.00  0.00           H+0
HETATM   62  H   UNK     0      -1.791  -2.549  -6.328  0.00  0.00           H+0
HETATM   63  H   UNK     0       1.809  -1.241  -5.031  0.00  0.00           H+0
HETATM   64  H   UNK     0       1.487  -1.308  -6.783  0.00  0.00           H+0
HETATM   65  H   UNK     0      -0.532  -0.365  -3.889  0.00  0.00           H+0
HETATM   66  H   UNK     0       0.175   2.174  -6.163  0.00  0.00           H+0
HETATM   67  H   UNK     0       1.780   1.492  -5.898  0.00  0.00           H+0
HETATM   68  H   UNK     0       1.428   1.929  -8.060  0.00  0.00           H+0
HETATM   69  H   UNK     0      -2.002   0.166  -6.033  0.00  0.00           H+0
HETATM   70  H   UNK     0      -0.436   0.109  -8.074  0.00  0.00           H+0
HETATM   71  H   UNK     0      -3.829  -1.191  -2.946  0.00  0.00           H+0
HETATM   72  H   UNK     0      -5.720  -2.488  -2.892  0.00  0.00           H+0
HETATM   73  H   UNK     0      -4.621  -2.782  -0.453  0.00  0.00           H+0
HETATM   74  H   UNK     0      -5.703  -0.766  -0.091  0.00  0.00           H+0
HETATM   75  H   UNK     0      -3.137  -0.098  -0.610  0.00  0.00           H+0
HETATM   76  H   UNK     0      -2.950  -0.525   1.632  0.00  0.00           H+0
CONECT    1    2   39   40                                                  
CONECT    2    1    3   41                                                  
CONECT    3    4    2   14    5                                             
CONECT    4    3   42   43   44                                             
CONECT    5    6    3   45   46                                             
CONECT    6    5   12    7   47                                             
CONECT    7    8    6                                                       
CONECT    8   10    7    9                                                  
CONECT    9    8                                                            
CONECT   10   12    8   11                                                  
CONECT   11   10   48   49   50                                             
CONECT   12    6   10   13                                                  
CONECT   13   14   12   51   52                                             
CONECT   14   53   15    3   13                                             
CONECT   15   16   14   17                                                  
CONECT   16   15   54   55                                                  
CONECT   17   15   18   56   57                                             
CONECT   18   17   19                                                       
CONECT   19   37   20   18   58                                             
CONECT   20   21   19                                                       
CONECT   21   33   20   22   59                                             
CONECT   22   23   21   60   61                                             
CONECT   23   22   24                                                       
CONECT   24   31   25   23   62                                             
CONECT   25   24   26                                                       
CONECT   26   25   27   63   64                                             
CONECT   27   31   26   28   29                                             
CONECT   28   27   65                                                       
CONECT   29   27   30   66   67                                             
CONECT   30   29   68                                                       
CONECT   31   27   24   32   69                                             
CONECT   32   31   70                                                       
CONECT   33   34   35   21   71                                             
CONECT   34   33   72                                                       
CONECT   35   36   37   33   73                                             
CONECT   36   35   74                                                       
CONECT   37   38   19   35   75                                             
CONECT   38   37   76                                                       
CONECT   39    1                                                            
CONECT   40    1                                                            
CONECT   41    2                                                            
CONECT   42    4                                                            
CONECT   43    4                                                            
CONECT   44    4                                                            
CONECT   45    5                                                            
CONECT   46    5                                                            
CONECT   47    6                                                            
CONECT   48   11                                                            
CONECT   49   11                                                            
CONECT   50   11                                                            
CONECT   51   13                                                            
CONECT   52   13                                                            
CONECT   53   14                                                            
CONECT   54   16                                                            
CONECT   55   16                                                            
CONECT   56   17                                                            
CONECT   57   17                                                            
CONECT   58   19                                                            
CONECT   59   21                                                            
CONECT   60   22                                                            
CONECT   61   22                                                            
CONECT   62   24                                                            
CONECT   63   26                                                            
CONECT   64   26                                                            
CONECT   65   28                                                            
CONECT   66   29                                                            
CONECT   67   29                                                            
CONECT   68   30                                                            
CONECT   69   31                                                            
CONECT   70   32                                                            
CONECT   71   33                                                            
CONECT   72   34                                                            
CONECT   73   35                                                            
CONECT   74   36                                                            
CONECT   75   37                                                            
CONECT   76   38                                                            
MASTER        0    0    0    0    0    0    0    0   76    0  158    0
END

RDKit          3D

76 79  0  0  0  0  0  0  0  0999 V2000
    5.5407   -0.4928    0.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2942   -0.9495    0.4209 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2537   -0.4949   -0.6126 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9256   -1.7437   -1.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8314    0.6095   -1.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7956    1.1441   -2.5397 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2859    2.2769   -3.2512 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4225    3.3172   -3.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5115    4.4030   -3.6170 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3794    2.9269   -2.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3368    3.8737   -1.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6238    1.6545   -1.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9477    0.7289   -0.8529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9698    0.0903    0.1293 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2738   -0.8510    1.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5611   -0.7811    2.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2345   -1.8298    0.6367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9846   -1.1179    0.4489 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9607   -1.8987   -0.2478 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5602   -2.1007   -1.5992 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5236   -2.8446   -2.3686 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9603   -3.0296   -3.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7673   -1.7472   -4.3965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2086   -1.8557   -5.7108 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1499   -2.3229   -5.6036 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0277   -1.1950   -5.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1648    0.0607   -5.6859 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0365    0.3815   -4.2935 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7982    1.2900   -6.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9557    1.1329   -7.7475 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1378   -0.4431   -6.3200 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0986   -0.5380   -7.7482 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8873   -2.1355   -2.3920 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8692   -2.9509   -3.0397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3534   -1.8481   -0.9638 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5632   -1.0748   -1.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2743   -1.1019   -0.1889 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7158   -0.9188    1.1660 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1695   -0.9205    1.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9793    0.3009    0.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9735   -1.7581    1.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7813   -2.0269   -2.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0748   -1.5827   -2.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6954   -2.6150   -0.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6933    0.2318   -2.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2194    1.4506   -0.9648 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5154    0.3816   -3.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2478    4.2313   -2.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7914    4.7388   -1.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3578    3.4126   -0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1722    1.2554   -0.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4432   -0.0426   -1.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3499    0.9375    0.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0683   -1.4186    3.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2936   -0.0776    2.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586   -2.3032   -0.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0647   -2.6276    1.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0723   -2.8618    0.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6280   -3.8432   -1.9239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6412   -3.6306   -4.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9925   -3.5393   -3.7195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7905   -2.5490   -6.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8087   -1.2407   -5.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4874   -1.3078   -6.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5322   -0.3645   -3.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1752    2.1740   -6.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7801    1.4924   -5.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4279    1.9287   -8.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0016    0.1656   -6.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4360    0.1090   -8.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8294   -1.1906   -2.9461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7197   -2.4882   -2.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6206   -2.7818   -0.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7033   -0.7656   -0.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1374   -0.0977   -0.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -0.5249    1.6315 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0
  6 12  1  0
 33 34  1  0
 35 36  1  0
 37 38  1  0
 12 10  2  0
 10  8  1  0
  8  7  1  0
  7  6  1  0
 22 23  1  0
  6 47  1  6
 19 37  1  0
  3  4  1  0
 37 35  1  0
 14 53  1  1
 35 33  1  0
 10 11  1  0
  1  2  2  3
  8  9  2  0
 16 15  2  3
 15 14  1  0
 15 17  1  0
 17 18  1  0
  3  2  1  1
  3 14  1  0
 33 21  1  0
 21 20  1  0
 20 19  1  0
 27 31  1  0
 31 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  1
  3  5  1  0
 31 32  1  0
 14 13  1  0
 27 29  1  0
 13 12  1  0
 29 30  1  0
 24 23  1  0
 21 22  1  0
 19 18  1  0
 19 58  1  1
 33 71  1  6
 34 72  1  0
 35 73  1  1
 36 74  1  0
 37 75  1  6
 38 76  1  0
 22 60  1  0
 22 61  1  0
 21 59  1  1
  1 39  1  0
  1 40  1  0
  2 41  1  0
 13 51  1  0
 13 52  1  0
  5 45  1  0
  5 46  1  0
  4 42  1  0
  4 43  1  0
  4 44  1  0
 11 48  1  0
 11 49  1  0
 11 50  1  0
 16 54  1  0
 16 55  1  0
 17 56  1  0
 17 57  1  0
 31 69  1  6
 24 62  1  6
 26 63  1  0
 26 64  1  0
 28 65  1  0
 32 70  1  0
 29 66  1  0
 29 67  1  0
 30 68  1  0
M  END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₆H₃₈O₁₂

Average Mass

542.5780 Da

Monoisotopic Mass

542.23633 Da

IUPAC Name

(5R,6S,7aS)-5-(3-{[(2R,3R,4S,5S,6R)-6-({[(2R,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}prop-1-en-2-yl)-6-ethenyl-3,6-dimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-one

Traditional Name

CAS Registry Number

Not Available

SMILES

[H]OC([H])([H])[C@]1(O[H])C([H])([H])O[C@@]([H])(OC([H])([H])[C@@]2([H])O[C@@]([H])(OC([H])([H])C(=C([H])[H])[C@]3([H])C([H])([H])C4=C(C(=O)O[C@@]4([H])C([H])([H])[C@]3(C([H])=C([H])[H])C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]1([H])O[H]

InChI Identifier

InChI=1S/C26H38O12/c1-5-25(4)7-16-14(13(3)22(32)37-16)6-15(25)12(2)8-34-23-20(30)19(29)18(28)17(38-23)9-35-24-21(31)26(33,10-27)11-36-24/h5,15-21,23-24,27-31,33H,1-2,6-11H2,3-4H3/t15-,16-,17+,18+,19-,20+,21-,23+,24+,25+,26-/m0/s1

InChI Key

NYVXYMLUZXJHAU-YHCAVIDYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, CD₃OD, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Sarcandra glabra	JEOL database	Li, Y., et al, J. Nat. Prod. 69, 616 (2006)

Chemical Taxonomy

Classification

Not classified

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	-0.56	ALOGPS
logP	-0.83	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	11.69	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	184.6 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	129.63 m³·mol⁻¹	ChemAxon
Polarizability	54.63 Å³	ChemAxon
Number of Rings	4	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

Not Available

References

General References

Li, Y., et al. (2006). Li, Y., et al, J. Nat. Prod. 69, 616 (2006) . J. Nat. Prod..

Showing NP-Card for sarcaglaboside D (NP0032050)

MOL for NP0032050 (sarcaglaboside D)

3D MOL for NP0032050 (sarcaglaboside D)

3D SDF for NP0032050 (sarcaglaboside D)

3D-SDF for NP0032050 (sarcaglaboside D)

PDB for NP0032050 (sarcaglaboside D)

3D PDB for NP0032050 (sarcaglaboside D)

SMILES for NP0032050 (sarcaglaboside D)

INCHI for NP0032050 (sarcaglaboside D)

Structure for NP0032050 (sarcaglaboside D)

3D Structure for NP0032050 (sarcaglaboside D)