KEGG   COMPOUND: C20678
Entry
C20678                      Compound                               
Name
26-Deglucoprotodioscin
Formula
C45H74O17
Exact mass
886.4926
Mol weight
887.06
Structure
Reaction
Enzyme
Other DBs
PubChem: 172232398
LinkDB
KCF data

ATOM        62
            1   C1y C     9.1160  -19.9290
            2   C1y C     9.1160  -21.2572
            3   O2x O     7.9276  -19.2299
            4   C1y C     7.9276  -21.9562
            5   O1a O    10.3044  -21.9562
            6   C1y C     6.7392  -19.9290
            7   C1y C     6.7392  -21.2572
            8   O1a O     7.9276  -23.3544
            9   C1a C     5.5508  -19.2299
            10  O1a O     5.5508  -21.9562
            11  C1y C    16.2465  -19.9290
            12  C1y C    17.4349  -19.2299
            13  O2x O    16.2465  -21.2572
            14  C1y C    18.6233  -19.9290
            15  O1a O    17.5048  -17.8318
            16  C1y C    17.4349  -21.9562
            17  C1y C    18.6233  -21.3271
            18  O1a O    19.8117  -19.2299
            19  C1a C    17.4349  -23.3544
            20  O1a O    19.8117  -21.9562
            21  C1y C    13.8697  -17.1327
            22  C1y C    13.8697  -18.5308
            23  O2x O    12.6813  -16.5035
            24  C1y C    12.6813  -19.2299
            25  O2a O    15.0581  -19.2299
            26  C1y C    11.5628  -17.1327
            27  C1y C    11.4929  -18.5308
            28  O1a O    12.6813  -20.5581
            29  C1b C    10.3044  -16.5035
            30  O2a O    10.3743  -19.2299
            31  C1z C    22.1886  -12.3791
            32  C1y C    23.4469  -11.7499
            33  C1y C    22.1885  -13.7772
            34  C1x C    21.0700  -11.6800
            35  C1a C    22.1186  -11.0508
            36  C1y C    24.5655  -12.4490
            37  C1y C    23.4469  -10.3518
            38  C1y C    21.0001  -14.4063
            39  C1x C    24.5654  -13.7772
            40  C1x C    19.8116  -12.3791
            41  O2x O    25.7538  -11.7499
            42  C1z C    25.7539  -10.3518
            43  C1a C    22.4682   -9.3731
            44  C1y C    19.8117  -13.7772
            45  C1x C    21.0001  -15.8045
            46  C1b C    26.9422  -11.0508
            47  C1z C    18.6232  -14.4063
            48  C2x C    19.8117  -16.5035
            49  C1b C    28.1306  -10.3518
            50  C2y C    18.6233  -15.8045
            51  C1x C    17.5048  -13.7772
            52  C1a C    18.5533  -13.0781
            53  C1x C    17.5048  -16.5035
            54  C1x C    16.3164  -14.4063
            55  C1y C    16.3164  -15.8045
            56  O2a O    15.1280  -16.5035
            57  O1a O     9.1160  -17.2026
            58  C1c C    29.3471  -11.0409
            59  C1b C    30.5269  -10.3468
            60  O1a O    31.7307  -11.0289
            61  C1a C    29.3471  -12.4391
            62  O1a O    25.6839   -8.9536
BOND        69
            1    12  15 1 #Down
            2    13  16 1
            3    14  17 1
            4    14  18 1 #Down
            5    16  19 1 #Down
            6    17  20 1 #Up
            7    16  17 1
            8     6   7 1
            9     1   2 1
            10    1   3 1
            11    2   4 1
            12    2   5 1 #Down
            13    3   6 1
            14    4   7 1
            15    4   8 1 #Down
            16    6   9 1 #Down
            17    7  10 1 #Up
            18   21  22 1
            19   21  23 1
            20   22  24 1
            21   22  25 1 #Down
            22   23  26 1
            23   24  27 1
            24   24  28 1 #Up
            25   26  29 1 #Up
            26   27  30 1 #Down
            27   26  27 1
            28   11  12 1
            29   11  13 1
            30   12  14 1
            31   31  32 1
            32   31  33 1
            33   31  34 1
            34   31  35 1 #Up
            35   32  36 1
            36   32  37 1
            37   33  38 1
            38   33  39 1
            39   34  40 1
            40   36  41 1
            41   37  42 1
            42   37  43 1 #Down
            43   38  44 1
            44   38  45 1
            45   42  46 1
            46   44  47 1
            47   45  48 1
            48   46  49 1
            49   47  50 1
            50   47  51 1
            51   47  52 1 #Up
            52   50  53 1
            53   51  54 1
            54   53  55 1
            55   55  56 1 #Up
            56   36  39 1
            57   40  44 1
            58   41  42 1
            59   48  50 2
            60   54  55 1
            61   21  56 1 #Up
            62   11  25 1 #Up
            63    1  30 1 #Up
            64   29  57 1
            65   49  58 1
            66   58  59 1
            67   59  60 1
            68   58  61 1 #Down
            69   42  62 1 #Down

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