KEGG   COMPOUND: C08917Help
Entry
C08917                      Compound                               

Name
Trigonelloside C;
Asparasaponin I
Formula
C51H84O22
Exact mass
1048.5454
Mol weight
1049.1995
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Furostan
    C08917  Trigonelloside C
BRITE hierarchy
Other DBs
CAS: 60478-69-5
PubChem: 11109
ChEBI: 9718
ChEMBL: CHEMBL1163175 CHEMBL1981285
KNApSAcK: C00003596
3DMET: B02523
NIKKAJI: J825.449D
KCF data Show

ATOM        73
            1   C1y C    38.6503  -12.2373
            2   O2x O    38.6503  -13.6200
            3   C1y C    39.8438  -11.5429
            4   C1y C    39.8438  -14.3014
            5   C1y C    41.0313  -12.2373
            6   O1a O    39.8438  -10.1728
            7   C1y C    41.0313  -13.6200
            8   C1b C    39.8379  -15.6783
            9   O1a O    42.2247  -11.5615
            10  O1a O    42.2189  -14.3014
            11  C1y C    14.7363  -21.7735
            12  C1y C    14.7878  -23.1571
            13  O2x O    13.5447  -21.0717
            14  C1y C    13.5322  -23.8317
            15  O1a O    15.9173  -23.8611
            16  C1y C    12.3491  -21.7520
            17  C1y C    12.3321  -23.1265
            18  O1a O    13.5139  -25.2153
            19  C1a C    11.1744  -21.0539
            20  O1a O    11.1387  -23.7989
            21  C1y C    21.9062  -21.8747
            22  C1y C    23.1011  -21.1926
            23  O2x O    21.9104  -23.2432
            24  C1y C    24.2936  -21.8679
            25  O1a O    23.0926  -19.8050
            26  C1y C    23.1072  -23.9376
            27  C1y C    24.2794  -23.2535
            28  O1a O    25.4806  -21.1837
            29  C1a C    23.0974  -25.3075
            30  O1a O    25.4816  -23.9315
            31  C1y C    19.5585  -19.0900
            32  C1y C    19.5468  -20.4751
            33  O2x O    18.3902  -18.3747
            34  C1y C    18.3396  -21.1287
            35  O2a O    20.7043  -21.1835
            36  C1y C    17.1812  -19.0561
            37  C1y C    17.1601  -20.4204
            38  O1a O    18.3057  -22.5139
            39  C1b C    16.0068  -18.3372
            40  O2a O    15.9438  -21.0888
            41  O1a O    16.0295  -16.9589
            42  C1z C    27.9323  -14.3114
            43  C1y C    27.9078  -15.6694
            44  C1y C    29.1200  -13.6356
            45  C1x C    26.7449  -13.6112
            46  C1a C    27.9078  -12.9354
            47  C1y C    26.7144  -16.3579
            48  C1x C    30.2831  -15.7058
            49  C1y C    30.3133  -14.3357
            50  C1y C    29.1200  -12.2657
            51  C1x C    25.5513  -14.2867
            52  C1y C    25.5396  -15.6636
            53  C1x C    26.7144  -17.7277
            54  O2x O    31.4950  -13.6415
            55  C1z C    31.4950  -12.2716
            56  C1a C    28.1452  -11.2850
            57  C1z C    24.3522  -16.3391
            58  C2x C    25.5339  -18.4035
            59  C1b C    32.6944  -11.5715
            60  O1a O    31.4822  -10.8958
            61  C2y C    24.3463  -17.7091
            62  C1x C    23.1588  -15.6636
            63  C1a C    24.3405  -14.9635
            64  C1b C    33.8632  -12.2469
            65  C1x C    23.1588  -18.4035
            66  C1x C    21.9712  -16.3391
            67  C1c C    35.0694  -11.5715
            68  C1y C    21.9712  -17.7091
            69  C1b C    36.2442  -12.2469
            70  C1a C    35.0566  -10.2016
            71  O2a O    20.7719  -18.4035
            72  O2a O    37.4447  -11.5464
            73  O1a O    38.6261  -16.3712
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   12  15 1 #Down
            11   13  16 1
            12   14  17 1
            13   14  18 1 #Down
            14   16  19 1 #Down
            15   17  20 1 #Up
            16   31  32 1
            17   31  33 1
            18   32  34 1
            19   32  35 1 #Down
            20   33  36 1
            21   34  37 1
            22   34  38 1 #Up
            23   36  39 1 #Up
            24   37  40 1 #Down
            25   39  41 1
            26   36  37 1
            27   21  22 1
            28   21  23 1
            29   22  24 1
            30   22  25 1 #Down
            31   23  26 1
            32   24  27 1
            33   24  28 1 #Down
            34   26  29 1 #Down
            35   27  30 1 #Up
            36   26  27 1
            37   16  17 1
            38   11  12 1
            39   11  13 1
            40   12  14 1
            41   42  43 1
            42   42  44 1
            43   42  45 1
            44   42  46 1 #Up
            45   43  47 1
            46   43  48 1
            47   44  49 1
            48   44  50 1
            49   45  51 1
            50   47  52 1
            51   47  53 1
            52   49  54 1
            53   50  55 1
            54   50  56 1 #Down
            55   52  57 1
            56   53  58 1
            57   55  59 1
            58   55  60 1 #Down
            59   57  61 1
            60   57  62 1
            61   57  63 1 #Up
            62   59  64 1
            63   61  65 1
            64   62  66 1
            65   64  67 1
            66   65  68 1
            67   67  69 1
            68   67  70 1 #Down
            69   68  71 1 #Up
            70   48  49 1
            71   51  52 1
            72   54  55 1
            73   58  61 2
            74   66  68 1
            75   31  71 1 #Up
            76   21  35 1 #Up
            77   11  40 1 #Up
            78   69  72 1
            79    1  72 1 #Up
            80    1   2 1
            81    8  73 1

» Japanese version

DBGET integrated database retrieval system