KEGG   COMPOUND: C08911Help
Entry
C08911                      Compound                               

Name
Sarsaparilloside
Formula
C57H96O28
Exact mass
1228.6088
Mol weight
1229.3553
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Furostan
    C08911  Sarsaparilloside
BRITE hierarchy
Other DBs
CAS: 24333-07-1
PubChem: 11103
ChEBI: 9038
KNApSAcK: C00003589
3DMET: B02517
NIKKAJI: J16.825D
KCF data Show

ATOM        85
            1   O2a O    15.9420  -16.6327
            2   C1y C    14.7435  -15.9226
            3   O2x O    14.7619  -14.5381
            4   C1y C    13.5308  -16.5960
            5   C1y C    13.5714  -13.8439
            6   C1y C    12.3462  -15.8874
            7   O1a O    13.5091  -17.9856
            8   C1y C    12.3048  -14.5086
            9   C1b C    13.5931  -12.4543
            10  O1a O    11.1389  -16.5381
            11  O1a O    11.1878  -13.7977
            12  O1a O    14.7944  -11.7743
            13  C1y C    21.8067  -21.4957
            14  O2x O    21.8406  -22.8782
            15  C1y C    23.0900  -20.8374
            16  C1y C    23.0210  -23.5993
            17  C1y C    24.1972  -21.5521
            18  O1a O    23.1305  -19.4380
            19  C1y C    24.2245  -22.9434
            20  C1b C    22.9760  -24.9730
            21  O1a O    25.4681  -20.8909
            22  O1a O    25.4070  -23.6550
            23  C1y C    38.6191  -11.8736
            24  O2x O    38.6379  -13.2543
            25  C1y C    39.8218  -11.1845
            26  C1y C    39.8275  -13.9256
            27  C1y C    41.0103  -11.8620
            28  O1a O    39.8089   -9.8171
            29  C1y C    41.0103  -13.2355
            30  C1b C    39.8463  -15.3061
            31  O1a O    42.1930  -11.1788
            32  O1a O    42.2118  -13.9199
            33  O1a O    38.6379  -16.0138
            34  C1y C    19.5068  -18.7380
            35  C1y C    19.5090  -20.1131
            36  O2x O    18.3244  -18.0374
            37  C1y C    18.3164  -20.7939
            38  O2a O    20.6724  -20.8020
            39  C1y C    17.1235  -18.7285
            40  C1y C    17.1230  -20.0938
            41  O1a O    18.3141  -22.1879
            42  C1b C    15.9320  -18.0292
            43  O2a O    15.9123  -20.7939
            44  C1y C    14.6944  -21.4884
            45  C1y C    14.7105  -22.8648
            46  O2x O    13.5054  -20.7988
            47  C1y C    13.5115  -23.5568
            48  O1a O    15.9215  -23.5469
            49  C1y C    12.3023  -21.4928
            50  C1y C    12.3130  -22.8647
            51  O1a O    13.5105  -24.9232
            52  C1a C    11.1140  -20.8024
            53  O1a O    11.1281  -23.5582
            54  C1y C    27.8561  -15.3117
            55  C1z C    27.8748  -13.9370
            56  C1y C    26.6676  -15.9889
            57  C1x C    30.2474  -15.3421
            58  C1y C    29.0764  -13.2724
            59  C1x C    26.6921  -13.2480
            60  C1a C    27.8691  -12.5636
            61  C1y C    25.4977  -15.2929
            62  C1x C    26.6676  -17.3625
            63  C1y C    30.2149  -13.9615
            64  C1y C    29.0764  -11.8919
            65  C1x C    25.5036  -13.9123
            66  C1z C    24.2904  -15.9830
            67  C1x C    25.4662  -18.0528
            68  O2x O    31.4547  -13.2783
            69  C1z C    31.4547  -11.8919
            70  C1a C    28.1090  -10.9059
            71  C1y C    24.2904  -17.3565
            72  C1x C    23.1007  -15.2929
            73  C1a C    24.2775  -14.6026
            74  C1b C    32.6432  -11.2018
            75  O1a O    31.4547  -10.5115
            76  C1x C    23.1007  -18.0528
            77  C1x C    21.9120  -15.9830
            78  C1b C    33.8390  -11.8919
            79  C1y C    21.9120  -17.3565
            80  C1c C    35.0217  -11.2018
            81  O2a O    20.7163  -18.0528
            82  C1b C    36.2045  -11.8862
            83  C1a C    35.0217   -9.8283
            84  O2a O    37.4079  -11.1840
            85  O1a O    21.7445  -25.6313
BOND        94
            1     2   1 1 #Up
            2     2   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     4   7 1 #Down
            7     5   8 1
            8     5   9 1 #Up
            9     6  10 1 #Up
            10    8  11 1 #Down
            11    9  12 1
            12    6   8 1
            13   15  17 1
            14   15  18 1 #Down
            15   16  19 1
            16   16  20 1 #Up
            17   17  21 1 #Up
            18   19  22 1 #Down
            19   17  19 1
            20   23  24 1
            21   23  25 1
            22   24  26 1
            23   25  27 1
            24   25  28 1 #Down
            25   26  29 1
            26   26  30 1 #Up
            27   27  31 1 #Up
            28   29  32 1 #Down
            29   30  33 1
            30   27  29 1
            31   13  14 1
            32   34  35 1
            33   34  36 1
            34   35  37 1
            35   35  38 1 #Down
            36   36  39 1
            37   37  40 1
            38   37  41 1 #Up
            39   39  42 1 #Up
            40   40  43 1 #Down
            41   44  43 1 #Up
            42   44  45 1
            43   44  46 1
            44   45  47 1
            45   45  48 1 #Down
            46   46  49 1
            47   47  50 1
            48   47  51 1 #Down
            49   49  52 1 #Down
            50   50  53 1 #Up
            51   39  40 1
            52   49  50 1
            53   54  55 1
            54   54  56 1
            55   54  57 1
            56   55  58 1
            57   55  59 1
            58   55  60 1 #Up
            59   56  61 1
            60   56  62 1
            61   57  63 1
            62   58  64 1
            63   59  65 1
            64   61  66 1
            65   62  67 1
            66   63  68 1
            67   64  69 1
            68   64  70 1 #Down
            69   66  71 1
            70   66  72 1
            71   66  73 1 #Up
            72   69  74 1
            73   69  75 1 #Down
            74   71  76 1
            75   72  77 1
            76   74  78 1
            77   76  79 1
            78   78  80 1
            79   79  81 1 #Up
            80   80  82 1
            81   80  83 1 #Down
            82   58  63 1
            83   61  65 1
            84   67  71 1
            85   68  69 1
            86   77  79 1
            87   34  81 1 #Up
            88   13  15 1
            89   82  84 1
            90   23  84 1 #Up
            91   13  38 1 #Up
            92   14  16 1
            93   20  85 1
            94   42   1 1

» Japanese version

DBGET integrated database retrieval system