KEGG   COMPOUND: C08910Help
Entry
C08910                      Compound                               

Name
Ruscoside
Formula
C50H80O23
Exact mass
1048.509
Mol weight
1049.1564
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Furostan
    C08910  Ruscoside
BRITE hierarchy
Other DBs
CAS: 51024-64-7
PubChem: 11102
ChEBI: 8915
KNApSAcK: C00003588
3DMET: B02516
NIKKAJI: J1.465.421F
KCF data Show

ATOM        73
            1   C1y C    36.2303  -11.8854
            2   O2x O    36.2303  -13.2655
            3   C1y C    37.4185  -11.2170
            4   C1y C    37.4068  -13.9470
            5   C1y C    38.6137  -11.8971
            6   O1a O    37.4315   -9.8426
            7   C1y C    38.6593  -13.2655
            8   C1b C    37.3940  -15.3212
            9   O1a O    39.7961  -11.2229
            10  O1a O    39.7773  -13.9714
            11  C1y C    19.5392  -21.4812
            12  C1y C    20.7302  -20.7948
            13  O2x O    19.5514  -22.8523
            14  C1y C    21.9299  -21.4746
            15  O1a O    20.7396  -19.4098
            16  C1y C    20.7295  -23.5460
            17  O2a O    23.1206  -20.7882
            18  C1y C    21.9202  -22.8598
            19  C1a C    20.7388  -24.9121
            20  C1y C    24.3016  -21.4871
            21  O1a O    23.1201  -23.5396
            22  O2x O    24.3090  -22.8759
            23  C1y C    25.4974  -20.7979
            24  C1y C    25.4884  -23.5460
            25  C1y C    26.6811  -21.4870
            26  O1a O    25.4939  -19.4272
            27  C1y C    26.6841  -22.8569
            28  C1b C    25.4928  -24.9297
            29  O1a O    27.8767  -20.7979
            30  O1a O    27.8742  -23.5570
            31  C1y C    17.1383  -18.7234
            32  C1y C    17.1472  -20.1115
            33  O2x O    15.9438  -18.0434
            34  O2a O    18.3365  -20.7887
            35  C1y C    15.9556  -20.7928
            36  C1x C    14.7686  -18.7342
            37  C1y C    14.7628  -20.0988
            38  O1a O    15.9570  -22.1685
            39  O1a O    13.5699  -20.7941
            40  C1y C    25.4900  -15.2969
            41  C1z C    25.5145  -13.9414
            42  C1y C    24.2948  -15.9783
            43  C1x C    27.8545  -15.3274
            44  C1y C    26.6909  -13.2728
            45  C1x C    24.3263  -13.2354
            46  C1a C    25.4957  -12.5542
            47  C1y C    23.1254  -15.2839
            48  C1x C    24.2948  -17.3584
            49  C1y C    27.8281  -13.9600
            50  C1y C    26.6397  -11.8929
            51  C1x C    23.1254  -13.9167
            52  C1z C    21.9241  -15.9654
            53  C2x C    23.1123  -18.0397
            54  O2x O    29.0744  -13.2728
            55  C1z C    29.0744  -11.8986
            56  C1a C    25.7252  -10.9141
            57  C2y C    21.9241  -17.3396
            58  C1y C    20.7418  -15.2839
            59  C1a C    21.9182  -14.5911
            60  C1b C    30.2496  -11.1985
            61  O1a O    29.0744  -10.5243
            62  C1x C    20.7418  -18.0397
            63  C1x C    19.5536  -15.9654
            64  O1a O    20.7361  -13.9040
            65  C1b C    31.4451  -11.8929
            66  C1y C    19.5536  -17.3396
            67  C2c C    32.6272  -11.1927
            68  O2a O    18.3585  -18.0397
            69  C1b C    33.8154  -11.8929
            70  C2a C    32.6272   -9.8184
            71  O1a O    24.2850  -25.6322
            72  O2a O    35.0214  -11.1926
            73  O1a O    36.1775  -16.0084
BOND        81
            1     1   3 1
            2     2   4 1
            3     3   5 1
            4     3   6 1 #Down
            5     4   7 1
            6     4   8 1 #Up
            7     5   9 1 #Up
            8     7  10 1 #Down
            9     5   7 1
            10   13  16 1
            11   14  17 1 #Down
            12   14  18 1
            13   16  19 1 #Down
            14   31  32 1
            15   31  33 1
            16   32  34 1 #Down
            17   32  35 1
            18   33  36 1
            19   35  37 1
            20   35  38 1 #Up
            21   37  39 1 #Up
            22   36  37 1
            23   20  17 1 #Up
            24   18  21 1 #Up
            25   20  22 1
            26   20  23 1
            27   22  24 1
            28   23  25 1
            29   23  26 1 #Down
            30   24  27 1
            31   24  28 1 #Up
            32   25  29 1 #Up
            33   27  30 1 #Down
            34   16  18 1
            35   25  27 1
            36   11  12 1
            37   11  13 1
            38   12  14 1
            39   40  41 1
            40   40  42 1
            41   40  43 1
            42   41  44 1
            43   41  45 1
            44   41  46 1 #Up
            45   42  47 1
            46   42  48 1
            47   43  49 1
            48   44  50 1
            49   45  51 1
            50   47  52 1
            51   48  53 1
            52   49  54 1
            53   50  55 1
            54   50  56 1 #Down
            55   52  57 1
            56   52  58 1
            57   52  59 1 #Up
            58   55  60 1
            59   55  61 1 #Down
            60   57  62 1
            61   58  63 1
            62   58  64 1 #Up
            63   60  65 1
            64   62  66 1
            65   65  67 1
            66   66  68 1 #Up
            67   67  69 1
            68   67  70 2
            69   44  49 1
            70   47  51 1
            71   53  57 2
            72   54  55 1
            73   63  66 1
            74   31  68 1 #Up
            75   11  34 1 #Up
            76   12  15 1 #Down
            77   28  71 1
            78   69  72 1
            79    1  72 1 #Up
            80    1   2 1
            81    8  73 1

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