KEGG   COMPOUND: C08908
Entry
C08908                      Compound                               
Name
Protogracillin
Formula
C51H84O23
Exact mass
1064.5403
Mol weight
1065.20
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Furostan
    C08908  Protogracillin
Glycosides [BR:br08021]
 O-glycosides
  Saponins
   Steroid
    C08908  Protogracillin
Other DBs
CAS: 54848-30-5
PubChem: 11100
ChEBI: 8590
KNApSAcK: C00003586
NIKKAJI: J687.535A
LinkDB
KCF data

ATOM        74
            1   C1y C    37.3818  -11.5689
            2   O2x O    37.4143  -12.9477
            3   C1y C    38.6703  -10.9279
            4   C1y C    38.5779  -13.6622
            5   C1y C    39.7581  -11.6485
            6   O1a O    38.7065   -9.5492
            7   C1y C    39.7788  -13.0213
            8   C1b C    38.5101  -15.0408
            9   O1a O    41.0280  -10.9958
            10  O1a O    40.9484  -13.7545
            11  C1y C    18.3449  -18.4315
            12  C1y C    18.3492  -19.8150
            13  O2x O    17.1539  -17.7259
            14  C1y C    17.1420  -20.4874
            15  O2a O    19.5284  -20.5069
            16  C1y C    15.9613  -18.4220
            17  O2a O    17.1314  -21.8705
            18  C1y C    15.9609  -19.7877
            19  C1y C    20.7166  -21.2175
            20  C1b C    14.7800  -17.7220
            21  C1y C    15.9242  -22.5430
            22  O1a O    14.7632  -20.4810
            23  C1y C    21.9018  -20.5454
            24  O2x O    20.6950  -22.6075
            25  O1a O    14.7820  -16.3424
            26  O2x O    14.7431  -21.8433
            27  C1y C    15.9222  -23.9227
            28  C1y C    23.0969  -21.2470
            29  O1a O    21.9248  -19.1782
            30  C1y C    21.8811  -23.3104
            31  C1y C    13.5454  -22.5364
            32  C1y C    14.7291  -24.5969
            33  O1a O    17.1114  -24.6206
            34  C1y C    23.0869  -22.6151
            35  O1a O    24.2966  -20.5617
            36  C1a C    21.8793  -24.6901
            37  C1y C    13.5480  -23.8972
            38  C1b C    12.3692  -21.8394
            39  O1a O    14.7270  -25.9768
            40  O1a O    24.2790  -23.3215
            41  O1a O    12.3618  -24.5822
            42  O1a O    12.3711  -20.4596
            43  C1z C    26.7130  -13.6511
            44  C1y C    26.7071  -15.0181
            45  C1y C    27.9081  -12.9741
            46  C1x C    25.5319  -12.9494
            47  C1a C    26.7071  -12.2723
            48  C1y C    25.5131  -15.6953
            49  C1x C    29.0716  -15.0427
            50  C1y C    29.1021  -13.6756
            51  C1y C    27.9140  -11.5952
            52  C1x C    24.3308  -13.6264
            53  C1y C    24.3251  -14.9995
            54  C1x C    25.5131  -17.0681
            55  O2x O    30.3415  -12.9798
            56  C1z C    30.2844  -11.6011
            57  C1a C    26.9411  -10.6222
            58  C1z C    23.1182  -15.6706
            59  C2x C    24.3122  -17.7639
            60  C1b C    31.4726  -10.9110
            61  O1a O    30.2715  -10.2152
            62  C2y C    23.1182  -17.0551
            63  C1x C    21.9360  -14.9936
            64  C1a C    23.1182  -14.3037
            65  C1b C    32.6606  -11.5952
            66  C1x C    21.9360  -17.7452
            67  C1x C    20.7349  -15.6706
            68  C1c C    33.8488  -10.9053
            69  C1y C    20.7349  -17.0551
            70  C1b C    35.0499  -11.5825
            71  C1a C    33.8488   -9.5323
            72  O2a O    19.5597  -17.7452
            73  O2a O    36.2531  -10.8806
            74  O1a O    37.2682  -15.6786
BOND        82
            1     5   9 1 #Up
            2     7  10 1 #Down
            3     5   7 1
            4     1   2 1
            5     1   3 1
            6     2   4 1
            7     3   5 1
            8     3   6 1 #Down
            9     4   7 1
            10   19  23 1
            11   19  24 1
            12   20  25 1
            13   21  26 1
            14   21  27 1
            15   23  28 1
            16   23  29 1 #Down
            17   24  30 1
            18   26  31 1
            19   27  32 1
            20   27  33 1 #Down
            21   28  34 1
            22   28  35 1 #Down
            23   30  36 1 #Down
            24   31  37 1
            25   31  38 1 #Up
            26   32  39 1 #Up
            27   34  40 1 #Up
            28   37  41 1 #Down
            29   38  42 1
            30   16  18 1
            31   30  34 1
            32   32  37 1
            33   11  12 1
            34   11  13 1
            35   12  14 1
            36   12  15 1 #Down
            37   13  16 1
            38   14  17 1 #Up
            39   14  18 1
            40   19  15 1 #Up
            41   16  20 1 #Up
            42   21  17 1 #Up
            43   18  22 1 #Down
            44   43  44 1
            45   43  45 1
            46   43  46 1
            47   43  47 1 #Up
            48   44  48 1
            49   44  49 1
            50   45  50 1
            51   45  51 1
            52   46  52 1
            53   48  53 1
            54   48  54 1
            55   50  55 1
            56   51  56 1
            57   51  57 1 #Down
            58   53  58 1
            59   54  59 1
            60   56  60 1
            61   56  61 1 #Down
            62   58  62 1
            63   58  63 1
            64   58  64 1 #Up
            65   60  65 1
            66   62  66 1
            67   63  67 1
            68   65  68 1
            69   66  69 1
            70   68  70 1
            71   68  71 1 #Up
            72   69  72 1 #Up
            73   49  50 1
            74   52  53 1
            75   55  56 1
            76   59  62 2
            77   67  69 1
            78   11  72 1 #Up
            79    4   8 1 #Up
            80   70  73 1
            81    1  73 1 #Up
            82    8  74 1

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