KEGG   COMPOUND: C16798
Entry
C16798                      Compound                               
Name
Sennoside D
Formula
C42H40O19
Exact mass
848.2164
Mol weight
848.7556
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1304 Anthracenes and phenanthrenes
    C16798  Sennoside D
Phytochemical compounds [BR:br08003]
 Polyketides
  Anthraquinones
   Anthrone type
    C16798  Sennoside D
Glycosides [BR:br08021]
 O-glycosides
  Anthraquinone glycosides
   C16798  Sennoside D
Dietary phytochemicals [br08012.html]
 Other phytochemicals
  C16798
Other DBs
CAS: 37271-17-3
PubChem: 96023322
ChEBI: 80735
NIKKAJI: J562.670F
LinkDB
KCF data

ATOM        61
            1   C1y C    25.4100  -16.4500
            2   C1y C    25.4100  -20.1600
            3   C8y C    26.5300  -15.7500
            4   C8y C    24.1500  -15.7500
            5   C8y C    26.5300  -20.7900
            6   C8y C    24.2200  -20.7900
            7   C8y C    26.5300  -14.4200
            8   C8x C    27.7200  -16.4500
            9   C8y C    24.1500  -14.3500
            10  C8x C    23.0300  -16.4500
            11  C8y C    26.5300  -22.1900
            12  C8x C    27.7200  -20.1600
            13  C8y C    24.2200  -22.1900
            14  C8x C    23.0300  -20.1600
            15  C5x C    25.4100  -13.7200
            16  C8y C    27.7200  -13.7200
            17  C8y C    28.9100  -15.7500
            18  C8y C    23.0300  -13.7200
            19  C8x C    21.8400  -15.7500
            20  C5x C    25.4100  -22.8200
            21  C8y C    27.7200  -22.8900
            22  C8y C    28.9100  -20.8600
            23  C8y C    23.0300  -22.8200
            24  C8x C    21.8400  -20.7900
            25  O5x O    25.4100  -12.3200
            26  C8x C    28.9100  -14.4200
            27  O1a O    27.7200  -12.3900
            28  C1b C    30.1000  -16.4500
            29  O2a O    23.0300  -12.3200
            30  C8x C    21.8400  -14.3500
            31  O5x O    25.4100  -24.2200
            32  C8x C    28.9100  -22.1900
            33  O1a O    27.7200  -24.2200
            34  C6a C    30.1000  -20.1600
            35  O2a O    23.0300  -24.2200
            36  C8x C    21.8400  -22.1900
            37  O1a O    31.2200  -15.7500
            38  C1y C    21.8400  -11.6900
            39  O6a O    31.2900  -20.8600
            40  O6a O    30.1000  -18.8300
            41  C1y C    21.8400  -24.9200
            42  O2x O    21.8400  -10.2900
            43  C1y C    20.6500  -12.3200
            44  O2x O    20.6500  -24.2200
            45  C1y C    21.8400  -26.2500
            46  C1y C    20.6500   -9.5900
            47  C1y C    19.4600  -11.6900
            48  O1a O    20.6500  -13.7200
            49  C1y C    19.4600  -24.9200
            50  C1y C    20.6500  -26.9500
            51  O1a O    23.0300  -26.9500
            52  C1y C    19.4600  -10.2900
            53  C1b C    20.6500   -8.2600
            54  O1a O    18.2700  -12.3900
            55  C1y C    19.4600  -26.2500
            56  C1b C    18.2700  -24.2200
            57  O1a O    20.6500  -28.2800
            58  O1a O    18.2700   -9.5900
            59  O1a O    19.4600   -7.5600
            60  O1a O    18.2700  -26.9500
            61  O1a O    17.0800  -24.9200
BOND        68
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    5  12 1
            12    6  13 2
            13    6  14 1
            14    7  15 1
            15    7  16 1
            16    8  17 2
            17    9  18 1
            18   10  19 2
            19   11  20 1
            20   11  21 1
            21   12  22 2
            22   13  23 1
            23   14  24 2
            24   15  25 2
            25   16  26 2
            26   16  27 1
            27   17  28 1
            28   18  29 1
            29   18  30 2
            30   20  31 2
            31   21  32 2
            32   21  33 1
            33   22  34 1
            34   23  35 1
            35   23  36 2
            36   28  37 1
            37   38  29 1 #Up
            38   34  39 1
            39   34  40 2
            40   41  35 1 #Up
            41   38  42 1
            42   38  43 1
            43   41  44 1
            44   41  45 1
            45   42  46 1
            46   43  47 1
            47   43  48 1 #Down
            48   44  49 1
            49   45  50 1
            50   45  51 1 #Down
            51   46  52 1
            52   46  53 1 #Up
            53   47  54 1 #Up
            54   49  55 1
            55   49  56 1 #Up
            56   50  57 1 #Up
            57   52  58 1 #Down
            58   53  59 1
            59   55  60 1 #Down
            60    9  15 1
            61   13  20 1
            62   17  26 1
            63   19  30 1
            64   22  32 1
            65   24  36 1
            66   47  52 1
            67   50  55 1
            68   56  61 1

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