KEGG   COMPOUND: C08949
Entry
C08949                      Compound                               
Name
Gypenoside XXV
Formula
C47H78O18
Exact mass
930.5188
Mol weight
931.1114
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0106 C30 isoprenoids (triterpenes)
    PR010608 Dammarane triterpenoids
     C08949  Gypenoside XXV
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Others
    C08949  Gypenoside XXV
Glycosides [BR:br08021]
 O-glycosides
  Saponins
   Triterpenoid
    C08949  Gypenoside XXV
Other DBs
CAS: 81474-84-2
PubChem: 11141
ChEBI: 5579
KNApSAcK: C00003524
3DMET: B02552
NIKKAJI: J2.767.466F
LinkDB
KCF data

ATOM        65
            1   C1y C    16.7382  -21.7825
            2   C1y C    16.7311  -23.1718
            3   O2x O    15.5448  -21.0810
            4   O2a O    17.9355  -23.8663
            5   C1y C    15.5313  -23.8587
            6   C1x C    14.3306  -21.7810
            7   C1y C    17.9290  -25.2546
            8   C1y C    14.3301  -23.1592
            9   O1a O    15.5242  -25.2480
            10  O2x O    16.7154  -25.9417
            11  C1y C    19.1303  -25.9540
            12  O1a O    13.1326  -23.8557
            13  C1y C    16.7090  -27.3298
            14  C1y C    19.1204  -27.3486
            15  O1a O    20.3386  -25.2641
            16  C1y C    17.9073  -28.0344
            17  C1b C    15.5005  -28.0199
            18  O1a O    20.3087  -28.0471
            19  O1a O    17.9033  -29.4188
            20  C1z C    21.5535  -19.0232
            21  C1y C    22.7537  -18.3253
            22  C1y C    21.5478  -20.4074
            23  C1x C    20.3521  -18.3253
            24  C4a C    21.5419  -17.6330
            25  C1z C    23.9433  -19.0291
            26  C1x C    22.7664  -16.9539
            27  C1z C    20.3521  -21.0997
            28  C1x C    22.7421  -21.1054
            29  C1x C    19.1519  -19.0232
            30  O4a O    20.5537  -16.6579
            31  C1z C    25.1435  -18.3498
            32  C1x C    23.9433  -20.4191
            33  C1a C    24.5616  -17.6389
            34  C1x C    23.9666  -16.2734
            35  C1y C    19.1519  -20.4074
            36  C1a C    19.6362  -22.4303
            37  C1a C    21.0517  -22.4303
            38  C1y C    25.1494  -16.9772
            39  C1x C    27.6034  -18.3147
            40  C1a C    25.1318  -19.7269
            41  O2a O    17.9506  -21.0997
            42  C1y C    26.3681  -16.2967
            43  C1x C    27.5509  -17.0005
            44  C1d C    26.3565  -14.9182
            45  C1b C    25.1494  -14.2145
            46  C1b C    27.5509  -14.2145
            47  O1a O    26.4207  -13.5222
            48  O2a O    25.1435  -12.8300
            49  C1b C    28.7464  -14.9066
            50  C1y C    23.9433  -12.1379
            51  C2b C    29.9409  -14.2085
            52  O2x O    23.9316  -10.7478
            53  C1y C    22.7421  -12.8360
            54  C2c C    31.1421  -14.9007
            55  C1y C    22.7304  -10.0695
            56  C1y C    21.5419  -12.1438
            57  O1a O    22.7480  -14.2202
            58  C1a C    32.3364  -14.2085
            59  C1a C    31.1362  -16.2908
            60  C1y C    21.5361  -10.7723
            61  C1b C    22.7188   -8.6900
            62  O1a O    20.3405  -12.8476
            63  O1a O    20.3231  -10.0943
            64  O1a O    14.2975  -27.3178
            65  O1a O    23.9193   -7.9832
BOND        71
            1     3   6 1
            2     7   4 1 #Up
            3     5   8 1
            4     5   9 1 #Up
            5     7  10 1
            6     7  11 1
            7     8  12 1 #Up
            8    10  13 1
            9    11  14 1
            10   11  15 1 #Down
            11   13  16 1
            12   13  17 1 #Up
            13   14  18 1 #Up
            14   16  19 1 #Down
            15    6   8 1
            16   14  16 1
            17    1   2 1
            18    1   3 1
            19    2   4 1 #Down
            20    2   5 1
            21   20  21 1
            22   20  22 1
            23   20  23 1
            24   20  24 1 #Up
            25   21  25 1
            26   21  26 1
            27   22  27 1
            28   22  28 1
            29   23  29 1
            30   24  30 2
            31   25  31 1
            32   25  32 1
            33   25  33 1 #Up
            34   26  34 1
            35   27  35 1
            36   27  36 1
            37   27  37 1
            38   31  38 1
            39   31  39 1
            40   31  40 1 #Down
            41   35  41 1 #Up
            42   38  42 1
            43   39  43 1
            44   42  44 1
            45   44  45 1 #Down
            46   44  46 1
            47   44  47 1 #Up
            48   45  48 1
            49   46  49 1
            50   50  48 1 #Up
            51   49  51 1
            52   50  52 1
            53   50  53 1
            54   51  54 2
            55   52  55 1
            56   53  56 1
            57   53  57 1 #Down
            58   54  58 1
            59   54  59 1
            60   55  60 1
            61   55  61 1 #Up
            62   56  62 1 #Up
            63   60  63 1 #Down
            64   28  32 1
            65   29  35 1
            66   34  38 1
            67   42  43 1
            68   56  60 1
            69    1  41 1 #Up
            70   17  64 1
            71   61  65 1

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