KEGG   COMPOUND: C08977
Entry
C08977                      Compound                               
Name
Saponoside D
Formula
C87H138O49
Exact mass
1966.8307
Mol weight
1967.99
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C08977  Saponoside D
Other DBs
CAS: 29741-72-8
PubChem: 11169
ChEBI: 9027
KNApSAcK: C00003550
NIKKAJI: J2.767.670G
LinkDB
KCF data

ATOM        136
            1   C1y C    32.4754   -7.4427
            2   O2x O    33.7689   -6.7685
            3   C1y C    31.2577   -6.7252
            4   C1y C    33.7251   -5.3745
            5   C1y C    31.3016   -5.3271
            6   O1a O    30.0489   -7.4002
            7   C1y C    32.5311   -4.6498
            8   C1b C    34.9367   -4.7010
            9   O1a O    30.0984   -4.6036
            10  O1a O    32.5406   -3.2451
            11  C1y C    13.1212  -29.9345
            12  C1y C    14.3286  -30.6644
            13  O2x O    11.9007  -30.6276
            14  C1y C    14.3057  -32.0575
            15  O1a O    15.5554  -29.9895
            16  C1x C    11.8699  -32.0308
            17  C1y C    13.0750  -32.7442
            18  O1a O    15.5065  -32.7828
            19  O1a O    13.0474  -34.1413
            20  C1y C    13.1028  -24.3365
            21  C1y C    14.3220  -25.0316
            22  O2x O    11.9017  -25.0425
            23  C1y C    14.3281  -26.4326
            24  O2a O    15.5209  -24.3177
            25  C1x C    11.9081  -26.4287
            26  C1y C    13.1180  -27.1330
            27  O1a O    15.5446  -27.1257
            28  C1y C    16.7437  -25.0068
            29  O2a O    13.1321  -28.5464
            30  O2x O    16.7547  -26.4251
            31  C1y C    17.9637  -24.2817
            32  C1y C    17.9774  -27.1072
            33  C1y C    19.1736  -24.9932
            34  O1a O    17.9399  -22.8856
            35  C1y C    19.1877  -26.4067
            36  C1b C    17.9913  -28.5205
            37  O1a O    20.3908  -24.2856
            38  O1a O    20.4174  -27.0886
            39  C1y C    14.3757  -19.4219
            40  C1y C    14.3196  -20.8352
            41  O2x O    13.0781  -18.7151
            42  C1y C    13.1031  -21.5469
            43  O1a O    15.5360  -21.5285
            44  C1y C    11.8805  -19.4531
            45  C1y C    11.8866  -20.8537
            46  O2a O    13.1170  -22.9604
            47  C6a C    10.6464  -18.7574
            48  O2a O    10.6732  -21.5605
            49  O6a O    10.6275  -17.3411
            50  O6a O     9.4406  -19.4715
            51  C1y C     9.5260  -22.2681
            52  C1y C     9.4875  -23.6767
            53  O2x O     8.2063  -21.5999
            54  C1y C     8.2892  -24.4057
            55  O1a O    10.7300  -24.1963
            56  C1y C     7.0820  -22.3247
            57  C1y C     7.0487  -23.7361
            58  O1a O     8.3271  -25.8031
            59  C1a C     5.7801  -21.6588
            60  O1a O     5.8517  -24.4727
            61  C1z C    25.2263  -14.5845
            62  C1y C    24.0273  -13.8679
            63  C1x C    25.2076  -15.9812
            64  C7a C    26.4322  -15.2834
            65  C1x C    26.4450  -13.9054
            66  C2y C    22.8086  -14.5657
            67  C1x C    23.9761  -12.4652
            68  C1x C    23.9958  -16.6603
            69  O7a O    27.6439  -14.5786
            70  O6a O    26.4263  -16.6847
            71  C1x C    26.4581  -12.5097
            72  C1z C    22.8026  -15.9553
            73  C2x C    21.5968  -13.8422
            74  C1z C    25.2649  -11.7921
            75  C1y C    28.9398  -15.2705
            76  C1z C    21.5911  -16.6473
            77  C1a C    22.7769  -17.3451
            78  C1x C    20.3852  -14.5400
            79  C1a C    25.9440  -10.5803
            80  C1a C    24.5544  -10.5803
            81  C1y C    30.0556  -14.5270
            82  O2x O    28.8885  -16.6730
            83  C1y C    20.3852  -15.9426
            84  C1x C    21.5911  -18.0499
            85  C1a C    22.1953  -15.3018
            86  C1y C    31.2745  -15.2003
            87  O1a O    30.0184  -13.1243
            88  C1y C    30.1260  -17.3323
            89  C1z C    19.1592  -16.6215
            90  C1x C    20.3465  -18.7478
            91  C1y C    31.3248  -16.5899
            92  O2a O    32.4805  -14.4510
            93  C1a C    30.1705  -18.7349
            94  C1y C    19.1535  -18.0370
            95  C1x C    17.9476  -15.9426
            96  C1a C    19.1535  -15.2191
            97  O2a O    32.5436  -17.2620
            98  C1y C    32.4360  -13.0553
            99  C1z C    17.9476  -18.7349
            100 C1x C    16.7357  -16.6215
            101 C1y C    32.5939  -18.6516
            102 C1y C    33.6606  -12.3762
            103 O2x O    31.2300  -12.3317
            104 C1y C    16.7357  -18.0370
            105 C4a C    18.3035  -20.0800
            106 C1a C    17.2181  -19.9338
            107 C1y C    33.8958  -19.3321
            108 O2x O    31.3952  -19.3952
            109 C1y C    33.6666  -10.9609
            110 O2a O    34.8665  -13.0871
            111 C1y C    31.2430  -10.9291
            112 O2a O    15.5168  -18.7349
            113 C1y C    33.8644  -20.7405
            114 O1a O    35.0188  -18.6014
            115 C1x C    31.4339  -20.8036
            116 C1y C    32.4676  -10.2500
            117 O1a O    34.8981  -10.2688
            118 C1y C    36.0782  -13.7789
            119 C1a C    30.0313  -10.1987
            120 C1y C    32.6643  -21.4698
            121 O1a O    35.0819  -21.4065
            122 O2a O    32.4864   -8.8347
            123 O2x O    36.0840  -15.1815
            124 C1y C    37.2785  -13.0553
            125 O1a O    32.7030  -22.8724
            126 C1y C    37.3287  -15.8477
            127 C1y C    38.5031  -13.7344
            128 O1a O    37.2397  -11.6586
            129 C1y C    38.5217  -15.1370
            130 C1b C    37.3347  -17.2561
            131 O1a O    39.6959  -13.0038
            132 O1a O    39.7404  -15.8091
            133 O4a O    18.9944  -21.2833
            134 O1a O    36.1342   -5.4185
            135 O1a O    38.5471  -18.1661
            136 O1a O    19.1964  -29.2003
BOND        150
            1    33  37 1 #Up
            2    35  38 1 #Up
            3    25  26 1
            4    33  35 1
            5    17  19 1 #Up
            6    16  17 1
            7     7  10 1 #Up
            8     5   7 1
            9     1   2 1
            10    1   3 1
            11    2   4 1
            12    3   5 1
            13    3   6 1 #Down
            14    4   7 1
            15    4   8 1 #Up
            16    5   9 1 #Up
            17   11  12 1
            18   11  13 1
            19   12  14 1
            20   12  15 1 #Down
            21   13  16 1
            22   14  17 1
            23   14  18 1 #Up
            24   20  21 1
            25   39  40 1
            26   39  41 1
            27   40  42 1
            28   40  43 1 #Down
            29   41  44 1
            30   42  45 1
            31   42  46 1 #Up
            32   44  47 1 #Up
            33   45  48 1 #Down
            34   47  49 1
            35   47  50 2
            36   51  48 1 #Up
            37   51  52 1
            38   51  53 1
            39   52  54 1
            40   52  55 1 #Down
            41   53  56 1
            42   54  57 1
            43   54  58 1 #Down
            44   56  59 1 #Down
            45   57  60 1 #Up
            46   44  45 1
            47   56  57 1
            48   20  22 1
            49   21  23 1
            50   21  24 1 #Down
            51   22  25 1
            52   23  26 1
            53   23  27 1 #Up
            54   28  24 1 #Up
            55   26  29 1 #Down
            56   28  30 1
            57   28  31 1
            58   30  32 1
            59   31  33 1
            60   31  34 1 #Down
            61   61  62 1
            62   61  63 1
            63   61  64 1 #Up
            64   61  65 1
            65   62  66 1
            66   62  67 1
            67   63  68 1
            68   64  69 1
            69   64  70 2
            70   65  71 1
            71   66  72 1
            72   66  73 2
            73   67  74 1
            74   75  69 1 #Up
            75   72  76 1
            76   72  77 1 #Down
            77   73  78 1
            78   74  79 1
            79   74  80 1
            80   75  81 1
            81   75  82 1
            82   76  83 1
            83   76  84 1
            84   76  85 1 #Up
            85   81  86 1
            86   81  87 1 #Down
            87   82  88 1
            88   83  89 1
            89   84  90 1
            90   86  91 1
            91   86  92 1 #Up
            92   88  93 1 #Up
            93   89  94 1
            94   89  95 1
            95   89  96 1 #Up
            96   91  97 1 #Up
            97   98  92 1 #Down
            98   94  99 1
            99   95 100 1
            100 101  97 1 #Up
            101  98 102 1
            102  98 103 1
            103  99 104 1
            104  99 105 1 #Up
            105  99 106 1 #Down
            106 101 107 1
            107 101 108 1
            108 102 109 1
            109 102 110 1 #Up
            110 103 111 1
            111 104 112 1 #Up
            112 107 113 1
            113 107 114 1 #Down
            114 108 115 1
            115 109 116 1
            116 109 117 1 #Up
            117 118 110 1 #Up
            118 111 119 1 #Up
            119 113 120 1
            120 113 121 1 #Up
            121 116 122 1 #Down
            122 118 123 1
            123 118 124 1
            124 120 125 1 #Down
            125 123 126 1
            126 124 127 1
            127 124 128 1 #Down
            128 126 129 1
            129 126 130 1 #Up
            130 127 131 1 #Up
            131 129 132 1 #Down
            132  68  72 1
            133  71  74 1
            134  78  83 1
            135  88  91 1
            136  90  94 1
            137 100 104 1
            138 111 116 1
            139 115 120 1
            140 127 129 1
            141  39 112 1 #Up
            142  20  46 1 #Up
            143  11  29 1 #Up
            144  32  35 1
            145   1 122 1 #Up
            146 105 133 2
            147  32  36 1 #Up
            148   8 134 1
            149 130 135 1
            150  36 136 1

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