C32H58O13
APtclcactv09241716222D 0   0.00000     0.00000
 
103104  0  0  1  0  0  0  0  0999 V2000
    8.5991   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5991   -1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8059   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8059    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4040    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5380    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637   -1.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666   -1.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9326   -2.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297   -2.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957   -1.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7987   -1.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6647   -2.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4617   -2.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3278   -1.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5307   -1.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3967   -2.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1938   -2.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9713   -2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1982   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3513   -1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885   -3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871   -4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565   -0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6550   -1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1316    1.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3346    1.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637    1.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666    1.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9326    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7297    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957    1.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7987    1.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6647    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4617    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2392    0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4662    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6192    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4231    1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0431    2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 18 27  1  6  0  0  0
 28 27  1  6  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  1  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  6  0  0  0
 34 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  1  0  0  0
 37 40  1  0  0  0  0
 40 41  1  0  0  0  0
 28 40  1  0  0  0  0
 40 42  1  1  0  0  0
 43 42  1  1  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  6  0  0  0
 46 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  1  0  0  0
 49 52  1  0  0  0  0
 52 53  1  0  0  0  0
 52 54  1  6  0  0  0
 52 55  1  0  0  0  0
 55 56  1  0  0  0  0
 43 55  1  0  0  0  0
 55 57  1  6  0  0  0
  6 58  1  0  0  0  0
  6 59  1  0  0  0  0
  7 60  1  0  0  0  0
  7 61  1  0  0  0  0
  8 62  1  0  0  0  0
  8 63  1  0  0  0  0
  9 64  1  0  0  0  0
  9 65  1  0  0  0  0
 10 66  1  0  0  0  0
 10 67  1  0  0  0  0
 11 68  1  0  0  0  0
 11 69  1  0  0  0  0
 12 70  1  0  0  0  0
 12 71  1  0  0  0  0
 12 72  1  0  0  0  0
 13 73  1  0  0  0  0
 13 74  1  0  0  0  0
 15 75  1  0  0  0  0
 17 76  1  0  0  0  0
 17 77  1  0  0  0  0
 20 78  1  0  0  0  0
 20 79  1  0  0  0  0
 21 80  1  0  0  0  0
 21 81  1  0  0  0  0
 22 82  1  0  0  0  0
 22 83  1  0  0  0  0
 23 84  1  0  0  0  0
 23 85  1  0  0  0  0
 24 86  1  0  0  0  0
 24 87  1  0  0  0  0
 25 88  1  0  0  0  0
 25 89  1  0  0  0  0
 26 90  1  0  0  0  0
 26 91  1  0  0  0  0
 26 92  1  0  0  0  0
 33 93  1  0  0  0  0
 33 94  1  0  0  0  0
 33 95  1  0  0  0  0
 36 96  1  0  0  0  0
 39 97  1  0  0  0  0
 48 98  1  0  0  0  0
 48 99  1  0  0  0  0
 48100  1  0  0  0  0
 51101  1  0  0  0  0
 54102  1  0  0  0  0
 57103  1  0  0  0  0
M  END
> <UNIQUE_SMILES>
CCCCCCC[C@H](CC(=O)O[C@H](CCCCCCC)CC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O

> <USER_SUPPLIED_SMILES>
O=C(O[C@H](CCCCCCC)CC(O)=O)C[C@@H](CCCCCCC)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O

$$$$
