KEGG   COMPOUND: C08753
Entry
C08753                      Compound                               
Name
Bruceoside A
Formula
C32H42O16
Exact mass
682.2473
Mol weight
682.6663
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C08753  Bruceoside A
Glycosides [BR:br08021]
 O-glycosides
  Saponins
   Triterpenoid
    C08753  Bruceoside A
Other DBs
CAS: 63306-30-9
PubChem: 10946
ChEBI: 3192
KNApSAcK: C00003703
3DMET: B02378
NIKKAJI: J34.279C
LinkDB
KCF data

ATOM        48
            1   C1z C    26.6339  -16.6508
            2   C1y C    27.8565  -15.9545
            3   C1y C    25.3995  -15.9371
            4   C1y C    26.6222  -18.0546
            5   C1x C    26.0371  -15.6386
            6   C1z C    27.8681  -14.5448
            7   C1y C    29.0790  -16.6682
            8   C1z C    24.1186  -16.6331
            9   C1y C    25.4287  -14.5213
            10  C1x C    25.4053  -18.7625
            11  O7x O    27.8389  -18.7683
            12  O2x O    26.5225  -14.6848
            13  C1y C    26.6573  -13.8251
            14  C7a C    29.0907  -13.8368
            15  C7x C    29.0675  -18.0780
            16  O7a O    30.2959  -15.9779
            17  C1y C    24.1826  -18.0488
            18  C2x C    22.9659  -15.9254
            19  C1a C    24.1769  -15.2233
            20  O1a O    24.2120  -13.7959
            21  O1a O    26.6690  -12.4153
            22  O7a O    30.3134  -14.5448
            23  O6a O    29.0907  -12.4211
            24  O6a O    30.2900  -18.7977
            25  C7a C    31.5126  -16.6740
            26  C1y C    22.9659  -18.7566
            27  C2y C    21.7433  -16.6331
            28  C1a C    31.5360  -13.8368
            29  C2b C    32.7353  -15.9662
            30  O6a O    31.5126  -18.0897
            31  C5x C    21.7433  -18.0488
            32  C1a C    22.9717  -20.1665
            33  O2a O    20.5149  -15.9254
            34  C2c C    33.9579  -16.6682
            35  O5x O    20.5149  -18.7566
            36  C1y C    19.2922  -15.2174
            37  C1a C    35.1806  -15.9605
            38  C1a C    33.9521  -18.0839
            39  O2x O    19.2863  -13.8193
            40  C1y C    18.0813  -15.9254
            41  C1y C    18.0696  -13.1231
            42  C1y C    16.8644  -15.2291
            43  O1a O    18.0870  -17.3234
            44  C1y C    16.8586  -13.8311
            45  C1b C    18.0636  -11.7250
            46  O1a O    15.6594  -15.9371
            47  O1a O    15.6419  -13.1348
            48  O1a O    16.8527  -11.0290
BOND        53
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    7  16 1 #Up
            16    8  17 1
            17    8  18 1
            18    8  19 1 #Up
            19    9  20 1 #Up
            20   13  21 1 #Down
            21   14  22 1
            22   14  23 2
            23   15  24 2
            24   16  25 1
            25   17  26 1
            26   18  27 2
            27   22  28 1
            28   25  29 1
            29   25  30 2
            30   26  31 1
            31   26  32 1 #Down
            32   27  33 1
            33   29  34 2
            34   31  35 2
            35   36  33 1 #Up
            36   34  37 1
            37   34  38 1
            38   36  39 1
            39   36  40 1
            40   39  41 1
            41   40  42 1
            42   40  43 1 #Down
            43   41  44 1
            44   41  45 1 #Up
            45   42  46 1 #Up
            46   44  47 1 #Down
            47   45  48 1
            48    6  12 1 #Up
            49    9  13 1
            50   10  17 1
            51   11  15 1
            52   27  31 1
            53   42  44 1

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