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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 20:22:27 UTC

Update Date

2022-03-07 02:54:29 UTC

HMDB ID

HMDB0035395

Secondary Accession Numbers

HMDB35395

Metabolite Identification

Common Name

Ginsenoside C

Description

Ginsenoside C, also known as ginsenoside-RG2 or panaxoside RG2, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Ginsenoside C is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv0541 02241214252D          

 55 60  0  0  0  0            999 V2000
    1.9543    5.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7412    4.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3242    3.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1111    2.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3136    3.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8568    0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3407    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8568    2.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567    2.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568    1.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568    1.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567    0.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567    3.0633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567   -0.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568   -0.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5754    5.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3715    5.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5846    6.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7853    1.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5003    0.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5003   -0.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2152   -0.6489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3160   -1.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7853   -0.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2559   -1.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9086    2.6522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568   -1.4739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567   -1.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.4739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7866   -1.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5003   -1.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152   -1.8863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7853   -3.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -4.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -5.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7853   -5.5986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5003   -3.1237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7866   -2.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -3.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567   -2.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568   -3.1237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568   -3.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567   -4.3611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3567   -5.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568   -5.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568   -6.4236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -3.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4841    0.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -5.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  2  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
  4  9  1  0  0  0  0
  4 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  6 54  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 46  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 44  1  0  0  0  0
 37 38  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 48  1  0  0  0  0
 41 42  1  0  0  0  0
 41 51  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 53  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 50 55  1  0  0  0  0
 51 52  1  0  0  0  0
M  END

HMDB0035395
     RDKit          3D
Ginsenoside C
127132  0  0  0  0  0  0  0  0999 V2000
    7.5722    4.5137    0.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5589    4.9331    1.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7574    6.3891    1.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5534    4.2955    1.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0403    2.9355    1.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8786    2.0734    0.6963 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3736    0.6389    0.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4246    0.0149   -0.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4587    0.0369    1.7309 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9966    0.6489    0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6405    1.3941   -1.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1483    1.0034   -1.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3353   -0.4829   -1.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1533   -0.7909   -2.5783 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2266   -0.6081   -0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8741   -1.9166   -0.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4280   -2.3001    1.1004 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8817   -3.0032   -0.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4562   -2.5570   -0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4243   -3.6236   -0.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3463   -4.2058    0.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7800   -4.8528   -1.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2126   -5.9409   -1.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6187   -5.5817   -0.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3312   -6.1243   -1.9937 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0143   -4.1658   -0.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6386   -4.0491    0.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1552   -3.8506   -1.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9368   -3.1672   -0.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2630   -1.7530   -0.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0886   -1.4135    0.3445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2024   -0.6565    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4111   -1.2599    0.2117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1485   -0.7412    1.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3861   -1.5989    1.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2134   -1.6766    0.4364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3606   -0.5010    2.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2208    0.1064    3.4140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2381    0.4396    2.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0719   -0.1256    2.7398 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0672    0.6756    0.6969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8488    1.6784    0.2273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2471    2.7968   -0.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5829    3.1995   -1.5124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9174    3.3968   -1.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1006    3.7131   -3.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4649    4.5136   -0.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9857    5.7209   -1.4314 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1090    4.2960    0.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3555    5.4722    1.2059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6521    3.9422    0.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    5.0464    0.3113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0886   -0.7950   -0.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1342   -1.3441   -1.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7329   -1.5303   -2.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1466    4.5624   -0.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1482    3.6210    0.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3732    5.3327    0.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7818    6.7459    2.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4887    6.4138    2.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9848    6.9791    0.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215    4.8878    2.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9919    3.0860    1.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8607    2.4096    2.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1486    2.5456   -0.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8672    1.9582    1.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4208    0.5569   -0.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7002   -1.0109   -0.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1826    0.0751   -1.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7448    0.3129    2.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4883    1.2991    0.8337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6299    2.4873   -1.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2257    1.1355   -2.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7242    1.3969   -2.2742 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6550    1.3490   -0.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2249   -0.8629   -2.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0641    0.0466   -3.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8919   -1.7611   -3.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5641   -0.6316    0.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7235   -2.0417   -0.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7300   -3.2583    1.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9574   -3.8594    0.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1695   -3.5239   -1.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4029   -2.1590    0.5778 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1939   -3.3926    1.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2815   -5.0674    1.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3861   -4.5770    1.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8657   -4.6655   -2.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7940   -5.1971   -0.9229 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -6.5718   -0.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0604   -6.6636   -1.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0347   -6.2032   -0.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2684   -6.3419   -1.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1876   -3.4147    1.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6399   -5.0905    1.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7409   -3.8128    0.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0718   -4.4687   -2.4918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1437   -4.1135   -1.1191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1910   -2.8054   -1.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8658   -3.3292   -2.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8256   -1.3508   -1.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1334   -0.4902   -1.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5474    0.2425    0.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0071   -2.6183    1.7501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9547   -1.1474    2.3635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7272   -2.0279   -0.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0230   -1.4406    2.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7332   -0.5619    3.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  2  4  2  3
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 55127  1  0
M  END


  Mrv0541 02241214252D          

 55 60  0  0  0  0            999 V2000
    1.9543    5.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0717    1.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8568    0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8568    2.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0717   -5.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  2  0  0  0  0
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  3  4  1  0  0  0  0
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  4  9  1  0  0  0  0
  4 32  1  0  0  0  0
  6  7  1  0  0  0  0
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  6 14  1  0  0  0  0
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 17 18  1  0  0  0  0
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 22 23  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 30  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 46  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 44  1  0  0  0  0
 37 38  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 48  1  0  0  0  0
 41 42  1  0  0  0  0
 41 51  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 53  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 50 55  1  0  0  0  0
 51 52  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0035395

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C(C)(O)CCC=C(C)C)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C42H72O13/c1-20(2)11-10-14-42(9,51)22-12-16-40(7)28(22)23(44)17-26-39(6)15-13-27(45)38(4,5)35(39)24(18-41(26,40)8)53-37-34(32(49)30(47)25(19-43)54-37)55-36-33(50)31(48)29(46)21(3)52-36/h11,21-37,43-51H,10,12-19H2,1-9H3

> <INCHI_KEY>
AGBCLJAHARWNLA-UHFFFAOYSA-N

> <FORMULA>
C42H72O13

> <MOLECULAR_WEIGHT>
785.0133

> <EXACT_MASS>
784.49729239

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
87.55123906249185

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(2-{[5,16-dihydroxy-14-(2-hydroxy-6-methylhept-5-en-2-yl)-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

> <ALOGPS_LOGP>
1.88

> <JCHEM_LOGP>
1.7284116833333323

> <ALOGPS_LOGS>
-3.66

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.713833948203046

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.09825454211899

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9011008416716972

> <JCHEM_POLAR_SURFACE_AREA>
218.98999999999995

> <JCHEM_REFRACTIVITY>
202.11130000000009

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.73e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[(2-{[5,16-dihydroxy-14-(2-hydroxy-6-methylhept-5-en-2-yl)-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0035395
     RDKit          3D
Ginsenoside C
127132  0  0  0  0  0  0  0  0999 V2000
    7.5722    4.5137    0.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5589    4.9331    1.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7574    6.3891    1.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5534    4.2955    1.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0403    2.9355    1.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8786    2.0734    0.6963 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3736    0.6389    0.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4246    0.0149   -0.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4587    0.0369    1.7309 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9966    0.6489    0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6405    1.3941   -1.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1483    1.0034   -1.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3353   -0.4829   -1.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1533   -0.7909   -2.5783 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2266   -0.6081   -0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8741   -1.9166   -0.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4280   -2.3001    1.1004 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8817   -3.0032   -0.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4562   -2.5570   -0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4243   -3.6236   -0.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3463   -4.2058    0.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7800   -4.8528   -1.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2126   -5.9409   -1.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6187   -5.5817   -0.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3312   -6.1243   -1.9937 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0143   -4.1658   -0.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6386   -4.0491    0.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1552   -3.8506   -1.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9368   -3.1672   -0.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2630   -1.7530   -0.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0886   -1.4135    0.3445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2024   -0.6565    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4111   -1.2599    0.2117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1485   -0.7412    1.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3861   -1.5989    1.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2134   -1.6766    0.4364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3606   -0.5010    2.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2208    0.1064    3.4140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2381    0.4396    2.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0719   -0.1256    2.7398 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0672    0.6756    0.6969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8488    1.6784    0.2273 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2067   -0.7390   -3.4176 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       3.648   9.414   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.250   7.925   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.339   6.837   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.941   5.349   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.452   5.749   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.001   1.868   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.466   1.393   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.369   2.638   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.466   3.886   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.001   3.408   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.666   4.178   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.666   3.408   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.666   1.868   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.666   1.099   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.001   0.329   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       0.666   5.718   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       0.666  -0.441   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.666  -1.211   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.001  -0.441   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.001   1.099   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.001   2.638   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.074  10.104   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.560  10.502   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.958  11.991   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -3.333   1.868   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -4.667   1.099   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -4.667  -0.441   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -6.002  -1.211   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -4.323  -2.389   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -3.333  -1.211   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -2.344  -2.389   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       5.429   4.951   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -0.666  -2.751   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       0.666  -3.521   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       2.001  -2.751   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       3.335  -3.521   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.667  -2.751   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       6.002  -3.521   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -3.333  -7.371   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      -2.001  -8.141   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -2.001  -9.681   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      -3.333 -10.451   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       4.667  -5.831   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       3.335  -5.061   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       2.001  -5.831   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       0.666  -5.061   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      -0.666  -5.831   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0      -0.666  -7.371   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0       0.666  -8.141   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0       0.666  -9.681   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      -0.666 -10.451   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      -0.666 -11.991   0.000  0.00  0.00           O+0
HETATM   53  O   UNK     0       2.001  -7.371   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0       2.770   0.534   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       2.001 -10.451   0.000  0.00  0.00           C+0
CONECT    1    2   23                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    9   32                                             
CONECT    5    4                                                            
CONECT    6    7   10   14   54                                             
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    4    8   10                                                  
CONECT   10    6    9   11                                                  
CONECT   11   10   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   20                                                  
CONECT   14    6   13   15   17                                             
CONECT   15   14                                                            
CONECT   16   11                                                            
CONECT   17   14   18                                                       
CONECT   18   17   19   33                                                  
CONECT   19   18   20   30                                                  
CONECT   20   13   19   21   25                                             
CONECT   21   20                                                            
CONECT   22   23                                                            
CONECT   23    1   22   24                                                  
CONECT   24   23                                                            
CONECT   25   20   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   30                                                  
CONECT   28   27                                                            
CONECT   29   30                                                            
CONECT   30   19   27   29   31                                             
CONECT   31   30                                                            
CONECT   32    4                                                            
CONECT   33   18   34                                                       
CONECT   34   33   35   46                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   44                                                  
CONECT   37   36   38                                                       
CONECT   38   37                                                            
CONECT   39   40                                                            
CONECT   40   39   41   48                                                  
CONECT   41   40   42   51                                                  
CONECT   42   41                                                            
CONECT   43   44                                                            
CONECT   44   36   43   45                                                  
CONECT   45   44   46   53                                                  
CONECT   46   34   45   47                                                  
CONECT   47   46   48                                                       
CONECT   48   40   47   49                                                  
CONECT   49   48   50                                                       
CONECT   50   49   51   55                                                  
CONECT   51   41   50   52                                                  
CONECT   52   51                                                            
CONECT   53   45                                                            
CONECT   54    6                                                            
CONECT   55   50                                                            
MASTER        0    0    0    0    0    0    0    0   55    0  120    0
END

COMPND    HMDB0035395
HETATM    1  C1  UNL     1       7.572   4.514   0.270  1.00  0.00           C  
HETATM    2  C2  UNL     1       6.559   4.933   1.235  1.00  0.00           C  
HETATM    3  C3  UNL     1       6.757   6.389   1.721  1.00  0.00           C  
HETATM    4  C4  UNL     1       5.553   4.296   1.726  1.00  0.00           C  
HETATM    5  C5  UNL     1       5.040   2.936   1.522  1.00  0.00           C  
HETATM    6  C6  UNL     1       5.879   2.073   0.696  1.00  0.00           C  
HETATM    7  C7  UNL     1       5.374   0.639   0.463  1.00  0.00           C  
HETATM    8  C8  UNL     1       6.425   0.015  -0.390  1.00  0.00           C  
HETATM    9  O1  UNL     1       5.459   0.037   1.731  1.00  0.00           O  
HETATM   10  C9  UNL     1       3.997   0.649   0.047  1.00  0.00           C  
HETATM   11  C10 UNL     1       3.641   1.394  -1.219  1.00  0.00           C  
HETATM   12  C11 UNL     1       2.148   1.003  -1.338  1.00  0.00           C  
HETATM   13  C12 UNL     1       2.335  -0.483  -1.320  1.00  0.00           C  
HETATM   14  C13 UNL     1       3.153  -0.791  -2.578  1.00  0.00           C  
HETATM   15  C14 UNL     1       3.227  -0.608  -0.087  1.00  0.00           C  
HETATM   16  C15 UNL     1       3.874  -1.917  -0.149  1.00  0.00           C  
HETATM   17  O2  UNL     1       4.428  -2.300   1.100  1.00  0.00           O  
HETATM   18  C16 UNL     1       2.882  -3.003  -0.552  1.00  0.00           C  
HETATM   19  C17 UNL     1       1.456  -2.557  -0.495  1.00  0.00           C  
HETATM   20  C18 UNL     1       0.424  -3.624  -0.433  1.00  0.00           C  
HETATM   21  C19 UNL     1       0.346  -4.206   0.991  1.00  0.00           C  
HETATM   22  C20 UNL     1       0.780  -4.853  -1.249  1.00  0.00           C  
HETATM   23  C21 UNL     1      -0.213  -5.941  -1.033  1.00  0.00           C  
HETATM   24  C22 UNL     1      -1.619  -5.582  -0.903  1.00  0.00           C  
HETATM   25  O3  UNL     1      -2.331  -6.124  -1.994  1.00  0.00           O  
HETATM   26  C23 UNL     1      -2.014  -4.166  -0.579  1.00  0.00           C  
HETATM   27  C24 UNL     1      -2.639  -4.049   0.767  1.00  0.00           C  
HETATM   28  C25 UNL     1      -3.155  -3.851  -1.571  1.00  0.00           C  
HETATM   29  C26 UNL     1      -0.937  -3.167  -0.915  1.00  0.00           C  
HETATM   30  C27 UNL     1      -1.263  -1.753  -0.726  1.00  0.00           C  
HETATM   31  O4  UNL     1      -2.089  -1.414   0.345  1.00  0.00           O  
HETATM   32  C28 UNL     1      -3.202  -0.656   0.001  1.00  0.00           C  
HETATM   33  O5  UNL     1      -4.411  -1.260   0.212  1.00  0.00           O  
HETATM   34  C29 UNL     1      -5.149  -0.741   1.246  1.00  0.00           C  
HETATM   35  C30 UNL     1      -6.386  -1.599   1.536  1.00  0.00           C  
HETATM   36  O6  UNL     1      -7.213  -1.677   0.436  1.00  0.00           O  
HETATM   37  C31 UNL     1      -4.361  -0.501   2.508  1.00  0.00           C  
HETATM   38  O7  UNL     1      -5.221   0.106   3.414  1.00  0.00           O  
HETATM   39  C32 UNL     1      -3.238   0.440   2.198  1.00  0.00           C  
HETATM   40  O8  UNL     1      -2.072  -0.126   2.740  1.00  0.00           O  
HETATM   41  C33 UNL     1      -3.067   0.676   0.697  1.00  0.00           C  
HETATM   42  O9  UNL     1      -3.849   1.678   0.227  1.00  0.00           O  
HETATM   43  C34 UNL     1      -3.247   2.797  -0.245  1.00  0.00           C  
HETATM   44  O10 UNL     1      -3.583   3.199  -1.512  1.00  0.00           O  
HETATM   45  C35 UNL     1      -4.917   3.397  -1.755  1.00  0.00           C  
HETATM   46  C36 UNL     1      -5.101   3.713  -3.226  1.00  0.00           C  
HETATM   47  C37 UNL     1      -5.465   4.514  -0.930  1.00  0.00           C  
HETATM   48  O11 UNL     1      -4.986   5.721  -1.431  1.00  0.00           O  
HETATM   49  C38 UNL     1      -5.109   4.296   0.503  1.00  0.00           C  
HETATM   50  O12 UNL     1      -5.355   5.472   1.206  1.00  0.00           O  
HETATM   51  C39 UNL     1      -3.652   3.942   0.698  1.00  0.00           C  
HETATM   52  O13 UNL     1      -2.896   5.046   0.311  1.00  0.00           O  
HETATM   53  C40 UNL     1      -0.089  -0.795  -0.611  1.00  0.00           C  
HETATM   54  C41 UNL     1       1.134  -1.344  -1.319  1.00  0.00           C  
HETATM   55  C42 UNL     1       0.733  -1.530  -2.744  1.00  0.00           C  
HETATM   56  H1  UNL     1       7.147   4.562  -0.777  1.00  0.00           H  
HETATM   57  H2  UNL     1       8.148   3.621   0.482  1.00  0.00           H  
HETATM   58  H3  UNL     1       8.373   5.333   0.214  1.00  0.00           H  
HETATM   59  H4  UNL     1       5.782   6.746   2.105  1.00  0.00           H  
HETATM   60  H5  UNL     1       7.489   6.414   2.528  1.00  0.00           H  
HETATM   61  H6  UNL     1       6.985   6.979   0.835  1.00  0.00           H  
HETATM   62  H7  UNL     1       4.922   4.888   2.471  1.00  0.00           H  
HETATM   63  H8  UNL     1       3.992   3.086   1.144  1.00  0.00           H  
HETATM   64  H9  UNL     1       4.861   2.410   2.513  1.00  0.00           H  
HETATM   65  H10 UNL     1       6.149   2.546  -0.245  1.00  0.00           H  
HETATM   66  H11 UNL     1       6.867   1.958   1.274  1.00  0.00           H  
HETATM   67  H12 UNL     1       7.421   0.557  -0.325  1.00  0.00           H  
HETATM   68  H13 UNL     1       6.700  -1.011  -0.044  1.00  0.00           H  
HETATM   69  H14 UNL     1       6.183   0.075  -1.468  1.00  0.00           H  
HETATM   70  H15 UNL     1       4.745   0.313   2.332  1.00  0.00           H  
HETATM   71  H16 UNL     1       3.488   1.299   0.834  1.00  0.00           H  
HETATM   72  H17 UNL     1       3.630   2.487  -1.129  1.00  0.00           H  
HETATM   73  H18 UNL     1       4.226   1.136  -2.086  1.00  0.00           H  
HETATM   74  H19 UNL     1       1.724   1.397  -2.274  1.00  0.00           H  
HETATM   75  H20 UNL     1       1.655   1.349  -0.429  1.00  0.00           H  
HETATM   76  H21 UNL     1       4.225  -0.863  -2.403  1.00  0.00           H  
HETATM   77  H22 UNL     1       3.064   0.047  -3.338  1.00  0.00           H  
HETATM   78  H23 UNL     1       2.892  -1.761  -3.042  1.00  0.00           H  
HETATM   79  H24 UNL     1       2.564  -0.632   0.831  1.00  0.00           H  
HETATM   80  H25 UNL     1       4.723  -2.042  -0.851  1.00  0.00           H  
HETATM   81  H26 UNL     1       4.730  -3.258   1.037  1.00  0.00           H  
HETATM   82  H27 UNL     1       2.957  -3.859   0.188  1.00  0.00           H  
HETATM   83  H28 UNL     1       3.169  -3.524  -1.499  1.00  0.00           H  
HETATM   84  H29 UNL     1       1.403  -2.159   0.578  1.00  0.00           H  
HETATM   85  H30 UNL     1       0.194  -3.393   1.737  1.00  0.00           H  
HETATM   86  H31 UNL     1      -0.282  -5.067   1.096  1.00  0.00           H  
HETATM   87  H32 UNL     1       1.386  -4.577   1.201  1.00  0.00           H  
HETATM   88  H33 UNL     1       0.866  -4.665  -2.322  1.00  0.00           H  
HETATM   89  H34 UNL     1       1.794  -5.197  -0.923  1.00  0.00           H  
HETATM   90  H35 UNL     1       0.179  -6.572  -0.174  1.00  0.00           H  
HETATM   91  H36 UNL     1      -0.060  -6.664  -1.897  1.00  0.00           H  
HETATM   92  H37 UNL     1      -2.035  -6.203  -0.044  1.00  0.00           H  
HETATM   93  H38 UNL     1      -3.268  -6.342  -1.727  1.00  0.00           H  
HETATM   94  H39 UNL     1      -2.188  -3.415   1.507  1.00  0.00           H  
HETATM   95  H40 UNL     1      -2.640  -5.091   1.223  1.00  0.00           H  
HETATM   96  H41 UNL     1      -3.741  -3.813   0.758  1.00  0.00           H  
HETATM   97  H42 UNL     1      -3.072  -4.469  -2.492  1.00  0.00           H  
HETATM   98  H43 UNL     1      -4.144  -4.113  -1.119  1.00  0.00           H  
HETATM   99  H44 UNL     1      -3.191  -2.805  -1.861  1.00  0.00           H  
HETATM  100  H45 UNL     1      -0.866  -3.329  -2.046  1.00  0.00           H  
HETATM  101  H46 UNL     1      -1.826  -1.351  -1.626  1.00  0.00           H  
HETATM  102  H47 UNL     1      -3.133  -0.490  -1.115  1.00  0.00           H  
HETATM  103  H48 UNL     1      -5.547   0.242   0.923  1.00  0.00           H  
HETATM  104  H49 UNL     1      -6.007  -2.618   1.750  1.00  0.00           H  
HETATM  105  H50 UNL     1      -6.955  -1.147   2.363  1.00  0.00           H  
HETATM  106  H51 UNL     1      -6.727  -2.028  -0.377  1.00  0.00           H  
HETATM  107  H52 UNL     1      -4.023  -1.441   2.987  1.00  0.00           H  
HETATM  108  H53 UNL     1      -5.733  -0.562   3.932  1.00  0.00           H  
HETATM  109  H54 UNL     1      -3.393   1.377   2.740  1.00  0.00           H  
HETATM  110  H55 UNL     1      -2.336  -0.602   3.579  1.00  0.00           H  
HETATM  111  H56 UNL     1      -2.004   0.978   0.586  1.00  0.00           H  
HETATM  112  H57 UNL     1      -2.134   2.783  -0.195  1.00  0.00           H  
HETATM  113  H58 UNL     1      -5.501   2.454  -1.568  1.00  0.00           H  
HETATM  114  H59 UNL     1      -4.157   4.126  -3.639  1.00  0.00           H  
HETATM  115  H60 UNL     1      -5.888   4.490  -3.308  1.00  0.00           H  
HETATM  116  H61 UNL     1      -5.426   2.829  -3.813  1.00  0.00           H  
HETATM  117  H62 UNL     1      -6.560   4.532  -1.040  1.00  0.00           H  
HETATM  118  H63 UNL     1      -5.710   6.407  -1.486  1.00  0.00           H  
HETATM  119  H64 UNL     1      -5.739   3.463   0.900  1.00  0.00           H  
HETATM  120  H65 UNL     1      -5.522   6.215   0.574  1.00  0.00           H  
HETATM  121  H66 UNL     1      -3.526   3.664   1.753  1.00  0.00           H  
HETATM  122  H67 UNL     1      -3.326   5.899   0.641  1.00  0.00           H  
HETATM  123  H68 UNL     1      -0.342   0.201  -1.019  1.00  0.00           H  
HETATM  124  H69 UNL     1       0.139  -0.630   0.474  1.00  0.00           H  
HETATM  125  H70 UNL     1      -0.339  -1.223  -2.967  1.00  0.00           H  
HETATM  126  H71 UNL     1       1.013  -2.467  -3.218  1.00  0.00           H  
HETATM  127  H72 UNL     1       1.207  -0.739  -3.418  1.00  0.00           H  
CONECT    1    2   56   57   58
CONECT    2    3    4    4
CONECT    3   59   60   61
CONECT    4    5   62
CONECT    5    6   63   64
CONECT    6    7   65   66
CONECT    7    8    9   10
CONECT    8   67   68   69
CONECT    9   70
CONECT   10   11   15   71
CONECT   11   12   72   73
CONECT   12   13   74   75
CONECT   13   14   15   54
CONECT   14   76   77   78
CONECT   15   16   79
CONECT   16   17   18   80
CONECT   17   81
CONECT   18   19   82   83
CONECT   19   20   54   84
CONECT   20   21   22   29
CONECT   21   85   86   87
CONECT   22   23   88   89
CONECT   23   24   90   91
CONECT   24   25   26   92
CONECT   25   93
CONECT   26   27   28   29
CONECT   27   94   95   96
CONECT   28   97   98   99
CONECT   29   30  100
CONECT   30   31   53  101
CONECT   31   32
CONECT   32   33   41  102
CONECT   33   34
CONECT   34   35   37  103
CONECT   35   36  104  105
CONECT   36  106
CONECT   37   38   39  107
CONECT   38  108
CONECT   39   40   41  109
CONECT   40  110
CONECT   41   42  111
CONECT   42   43
CONECT   43   44   51  112
CONECT   44   45
CONECT   45   46   47  113
CONECT   46  114  115  116
CONECT   47   48   49  117
CONECT   48  118
CONECT   49   50   51  119
CONECT   50  120
CONECT   51   52  121
CONECT   52  122
CONECT   53   54  123  124
CONECT   54   55
CONECT   55  125  126  127
END

HMDB0035395
     RDKit          3D
Ginsenoside C
127132  0  0  0  0  0  0  0  0999 V2000
    7.5722    4.5137    0.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5589    4.9331    1.2347 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7574    6.3891    1.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5534    4.2955    1.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0403    2.9355    1.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8786    2.0734    0.6963 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3736    0.6389    0.4626 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4246    0.0149   -0.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4587    0.0369    1.7309 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9966    0.6489    0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6405    1.3941   -1.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1483    1.0034   -1.3381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3353   -0.4829   -1.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1533   -0.7909   -2.5783 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2266   -0.6081   -0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8741   -1.9166   -0.1489 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4280   -2.3001    1.1004 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8817   -3.0032   -0.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4562   -2.5570   -0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4243   -3.6236   -0.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3463   -4.2058    0.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7800   -4.8528   -1.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2126   -5.9409   -1.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6187   -5.5817   -0.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3312   -6.1243   -1.9937 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0143   -4.1658   -0.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6386   -4.0491    0.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1552   -3.8506   -1.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9368   -3.1672   -0.9146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2630   -1.7530   -0.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0886   -1.4135    0.3445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2024   -0.6565    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4111   -1.2599    0.2117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1485   -0.7412    1.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3861   -1.5989    1.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2134   -1.6766    0.4364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3606   -0.5010    2.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2208    0.1064    3.4140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2381    0.4396    2.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0719   -0.1256    2.7398 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0672    0.6756    0.6969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8488    1.6784    0.2273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2471    2.7968   -0.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5829    3.1995   -1.5124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9174    3.3968   -1.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1006    3.7131   -3.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4649    4.5136   -0.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9857    5.7209   -1.4314 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1090    4.2960    0.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3555    5.4722    1.2059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6521    3.9422    0.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    5.0464    0.3113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0886   -0.7950   -0.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1342   -1.3441   -1.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7329   -1.5303   -2.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1466    4.5624   -0.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1482    3.6210    0.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3732    5.3327    0.2135 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7818    6.7459    2.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4887    6.4138    2.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9848    6.9791    0.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215    4.8878    2.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9919    3.0860    1.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8607    2.4096    2.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1486    2.5456   -0.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8672    1.9582    1.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4208    0.5569   -0.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7002   -1.0109   -0.0439 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1826    0.0751   -1.4675 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7448    0.3129    2.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4883    1.2991    0.8337 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6299    2.4873   -1.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2257    1.1355   -2.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7242    1.3969   -2.2742 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6550    1.3490   -0.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2249   -0.8629   -2.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0641    0.0466   -3.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8919   -1.7611   -3.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5641   -0.6316    0.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7235   -2.0417   -0.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7300   -3.2583    1.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9574   -3.8594    0.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1695   -3.5239   -1.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4029   -2.1590    0.5778 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1939   -3.3926    1.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8657   -4.6655   -2.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5474    0.2425    0.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3356   -0.6024    3.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.8881    4.4899   -3.3083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4258    2.8290   -3.8126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5603    4.5316   -1.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5217    6.2152    0.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5256    3.6644    1.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3262    5.8989    0.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3420    0.2009   -1.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1391   -0.6297    0.4739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3387   -1.2228   -2.9671 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0129   -2.4665   -3.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2067   -0.7390   -3.4176 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Chikusetsusaponin I	HMDB
Ginsenoside RG2	HMDB
Ginsenoside-RG2	HMDB
Ginsenoside-RG2, (3beta,6alpha,12beta,20R)-isomer	HMDB
Panaxoside RG2	HMDB
Prosapogenin C2	HMDB

Chemical Formula

C₄₂H₇₂O₁₃

Average Molecular Weight

785.0133

Monoisotopic Molecular Weight

784.49729239

IUPAC Name

2-[(2-{[5,16-dihydroxy-14-(2-hydroxy-6-methylhept-5-en-2-yl)-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-8-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

Traditional Name

CAS Registry Number

52286-74-5

SMILES

CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C(C)(O)CCC=C(C)C)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O

InChI Identifier

InChI=1S/C42H72O13/c1-20(2)11-10-14-42(9,51)22-12-16-40(7)28(22)23(44)17-26-39(6)15-13-27(45)38(4,5)35(39)24(18-41(26,40)8)53-37-34(32(49)30(47)25(19-43)54-37)55-36-33(50)31(48)29(46)21(3)52-36/h11,21-37,43-51H,10,12-19H2,1-9H3

InChI Key

AGBCLJAHARWNLA-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Not Available

Substituents

Not Available

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cell membrane (HMDB: HMDB0035395)

Cellular substructure

Route of exposure

Enteral

Ingestion (HMDB: HMDB0035395)

Source

Endogenous

Endogenous (HMDB: HMDB0035395)

Plant

Plant (HMDB: HMDB0035395)

Animal

Animal (HMDB: HMDB0035395)

Exogenous

Food

Food (HMDB: HMDB0035395)

Tea

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid peroxidation (HMDB: HMDB0035395)

Biochemical process

Fatty acid metabolism (HMDB: HMDB0035395)

Cellular process

Cell signaling (HMDB: HMDB0035395)

Biochemical pathway

Lipid metabolism pathway (HMDB: HMDB0035395)

Role

Biological role

Membrane stabilizer (HMDB: HMDB0035395)

Nutrient

Nutrient (HMDB: HMDB0035395)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0035395)

Emulsifier (HMDB: HMDB0035395)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	187 - 189 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.17 g/L	ALOGPS
logP	1.88	ALOGPS
logP	1.73	ChemAxon
logS	-3.7	ALOGPS
pKa (Strongest Acidic)	12.1	ChemAxon
pKa (Strongest Basic)	-2.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	218.99 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	202.11 m³·mol⁻¹	ChemAxon
Polarizability	87.55 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M-2H]-	301.908	30932474
DeepCCS	[M+Na]+	276.548	30932474
AllCCS	[M+H]+	271.8	32859911
AllCCS	[M+H-H2O]+	271.6	32859911
AllCCS	[M+NH4]+	271.9	32859911
AllCCS	[M+Na]+	271.9	32859911
AllCCS	[M-H]-	239.0	32859911
AllCCS	[M+Na-2H]-	245.1	32859911
AllCCS	[M+HCOO]-	251.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Ginsenoside C	CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C(C)(O)CCC=C(C)C)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O	3659.5	Standard polar	33892256
Ginsenoside C	CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C(C)(O)CCC=C(C)C)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O	4870.8	Standard non polar	33892256
Ginsenoside C	CC1OC(OC2C(O)C(O)C(CO)OC2OC2CC3(C)C(CC(O)C4C(CCC34C)C(C)(O)CCC=C(C)C)C3(C)CCC(O)C(C)(C)C23)C(O)C(O)C1O	5707.4	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Ginsenoside C GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ginsenoside C GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ginsenoside C GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ginsenoside C GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ginsenoside C GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ginsenoside C GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ginsenoside C GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ginsenoside C GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ginsenoside C GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ginsenoside C GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ginsenoside C GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ginsenoside C GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ginsenoside C GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ginsenoside C GC-MS (TBDMS_1_5) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ginsenoside C GC-MS (TBDMS_1_6) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ginsenoside C GC-MS (TBDMS_1_7) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ginsenoside C GC-MS (TBDMS_1_8) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ginsenoside C GC-MS (TBDMS_1_9) - 70eV, Positive	Not Available	2021-10-18	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Ginsenoside C 6V, Positive-QTOF	splash10-0w29-2901301000-20c2c1f51c84403e49f5	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Ginsenoside C 6V, Positive-QTOF	splash10-0udi-5900300000-118c7711b3a85ff890c4	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Ginsenoside C 6V, Positive-QTOF	splash10-001i-0000001900-03815b5202b4e91d6d42	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Ginsenoside C 6V, Positive-QTOF	splash10-003r-2700503900-0abd7260ab8794cfe1d1	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Ginsenoside C 6V, Positive-QTOF	splash10-003r-2500704900-94c65814db868a8f495d	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Ginsenoside C 6V, Positive-QTOF	splash10-001i-0000000900-d387eb1d19c479275359	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Ginsenoside C 6V, Positive-QTOF	splash10-001i-0000000900-e53055986552c902481a	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Ginsenoside C 6V, Negative-QTOF	splash10-001i-0000000900-8972a3ea891503ff1fdf	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Ginsenoside C 6V, Positive-QTOF	splash10-0ufr-3901800000-464c735a75adb926a9be	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Ginsenoside C 6V, Positive-QTOF	splash10-001i-1800501900-28537e7875ca246385fc	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Ginsenoside C 6V, Positive-QTOF	splash10-001i-0000000900-71f1be75c06aefc0f14a	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ginsenoside C 10V, Positive-QTOF	splash10-06ds-0100807900-1504d83d2721d092ea7a	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ginsenoside C 20V, Positive-QTOF	splash10-0adi-0100905100-f94465c533cf5c8993bb	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ginsenoside C 40V, Positive-QTOF	splash10-056s-2300902000-f3f60785cfbd222a8fc4	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ginsenoside C 10V, Negative-QTOF	splash10-067i-2400709700-c7f091150d1caec6fa82	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ginsenoside C 20V, Negative-QTOF	splash10-0cfs-2700906100-79eee600632bac1d91f3	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ginsenoside C 40V, Negative-QTOF	splash10-056r-6400900000-f390625d7543c9bcc1ca	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ginsenoside C 10V, Positive-QTOF	splash10-00ks-0000004900-db9c29aa721277f2457c	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ginsenoside C 20V, Positive-QTOF	splash10-03l9-9700237400-d687fa1a587ce148676d	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ginsenoside C 40V, Positive-QTOF	splash10-0006-9100001000-6912c3bd223808487453	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ginsenoside C 10V, Negative-QTOF	splash10-001i-0000002900-2bd43e75518c2984085d	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ginsenoside C 20V, Negative-QTOF	splash10-00lg-8300009700-3f20dd0b4c100890875b	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ginsenoside C 40V, Negative-QTOF	splash10-0a4r-9100034000-a5a921548b693ce9e53c	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Membrane

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB014070

KNApSAcK ID

C00030399

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

12912318

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Liu D, Pu S, Qian S, Zhang J: [Chemical constituents of Chinese red ginseng]. Zhongguo Zhong Yao Za Zhi. 2011 Feb;36(4):462-4. [PubMed:21598542 ]
Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for Ginsenoside C (HMDB0035395)

MOL for HMDB0035395 (Ginsenoside C)

3D MOL for HMDB0035395 (Ginsenoside C)

3D SDF for HMDB0035395 (Ginsenoside C)

3D-SDF for HMDB0035395 (Ginsenoside C)

PDB for HMDB0035395 (Ginsenoside C)

3D PDB for HMDB0035395 (Ginsenoside C)

SMILES for HMDB0035395 (Ginsenoside C)

INCHI for HMDB0035395 (Ginsenoside C)

Structure for HMDB0035395 (Ginsenoside C)

3D Structure for HMDB0035395 (Ginsenoside C)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

GC-MS Spectra

MS/MS Spectra