KEGG   COMPOUND: C10404
Entry
C10404                      Compound                               

Name
Sennoside A
Formula
C42H38O20
Exact mass
862.1956
Mol weight
862.7391
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1304 Anthracenes and phenanthrenes
    C10404  Sennoside A
Phytochemical compounds [BR:br08003]
 Polyketides
  Anthraquinones
   Anthrone type
    C10404  Sennoside A
Glycosides [BR:br08021]
 O-glycosides
  Anthraquinone glycosides
   C10404  Sennoside A
Other DBs
CAS: 81-27-6
PubChem: 12590
ChEBI: 9112
ChEMBL: CHEMBL1314924 CHEMBL1362935 CHEMBL1644069 CHEMBL2368547
LIPIDMAPS: LMPK13040016
KNApSAcK: C00002863
3DMET: B03817
NIKKAJI: J215.250I
KCF data

ATOM        62
            1   C1y C    27.7044  -16.3798
            2   C1y C    27.6938  -19.6569
            3   C8y C    28.8947  -15.6950
            4   C8y C    26.5257  -15.6891
            5   C8y C    28.8842  -20.3419
            6   C8y C    26.5221  -20.3419
            7   C8y C    28.9006  -14.3306
            8   C8x C    30.0665  -16.3857
            9   C8y C    26.5316  -14.3118
            10  C8x C    25.3539  -16.3741
            11  C8y C    28.8783  -21.7133
            12  C8x C    30.0686  -19.6686
            13  C8y C    26.5163  -21.7133
            14  C8x C    25.3377  -19.6569
            15  C5x C    27.7160  -13.6327
            16  C8y C    30.0967  -13.6574
            17  C8y C    31.3209  -15.7066
            18  C8y C    25.3539  -13.6327
            19  C8x C    24.1693  -15.6891
            20  C5x C    27.6938  -22.3983
            21  C8y C    30.0443  -22.4042
            22  C8y C    31.2532  -20.3666
            23  C8y C    25.3260  -22.3795
            24  C8x C    24.1473  -20.3362
            25  O5x O    27.7219  -12.2685
            26  C8x C    31.2625  -14.3481
            27  O1a O    30.1026  -12.2859
            28  C6a C    32.4225  -16.4045
            29  O2a O    25.3539  -12.2685
            30  C8x C    24.1693  -14.3118
            31  O5x O    27.6879  -23.7626
            32  C8x C    31.2405  -21.7309
            33  O1a O    30.0384  -23.7685
            34  C6a C    32.4250  -19.6816
            35  O2a O    25.3260  -23.7568
            36  C8x C    24.1414  -21.7005
            37  O6a O    33.6071  -15.7066
            38  O6a O    32.4225  -17.5586
            39  C1y C    24.1693  -11.5777
            40  O6a O    33.6096  -20.3550
            41  O6a O    32.4250  -18.5143
            42  C1y C    24.1297  -24.4302
            43  O2x O    24.1636  -10.2063
            44  C1y C    22.9790  -12.2625
            45  O2x O    22.9394  -23.7452
            46  C1y C    24.1297  -25.7944
            47  C1y C    22.9673   -9.5479
            48  C1y C    21.7886  -11.5894
            49  O1a O    22.9849  -13.6327
            50  C1y C    21.7490  -24.4302
            51  C1y C    22.9453  -26.4794
            52  O1a O    25.3201  -26.4794
            53  C1y C    21.7829  -10.2249
            54  C1b C    22.9616   -8.1726
            55  O1a O    20.6170  -12.2742
            56  C1y C    21.7550  -25.8002
            57  C1b C    20.5775  -23.7509
            58  O1a O    22.9453  -27.8563
            59  O1a O    20.5983   -9.5502
            60  O1a O    21.7712   -7.4856
            61  O1a O    20.5775  -26.4794
            62  O1a O    19.3978  -24.4286
BOND        69
            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   28  38 2
            38   39  29 1 #Up
            39   34  40 1
            40   34  41 2
            41   42  35 1 #Up
            42   39  43 1
            43   39  44 1
            44   42  45 1
            45   42  46 1
            46   43  47 1
            47   44  48 1
            48   44  49 1 #Down
            49   45  50 1
            50   46  51 1
            51   46  52 1 #Down
            52   47  53 1
            53   47  54 1 #Up
            54   48  55 1 #Up
            55   50  56 1
            56   50  57 1 #Up
            57   51  58 1 #Up
            58   53  59 1 #Down
            59   54  60 1
            60   56  61 1 #Down
            61    9  15 1
            62   13  20 1
            63   17  26 1
            64   19  30 1
            65   22  32 1
            66   24  36 1
            67   48  53 1
            68   51  56 1
            69   57  62 1

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