KEGG   COMPOUND: C08912
Entry
C08912                      Compound                               
Name
Sarsasapogenin 3-O-4G-rhamnosylsophoroside
Formula
C45H74O17
Exact mass
886.4926
Mol weight
887.0589
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Spirostan
    C08912  Sarsasapogenin 3-O-4G-rhamnosylsophoroside
Glycosides [BR:br08021]
 O-glycosides
  Saponins
   Steroid
    C08912  Sarsasapogenin 3-O-4G-rhamnosylsophoroside
Other DBs
CAS: 84633-34-1
PubChem: 11104
ChEBI: 9039
KNApSAcK: C00003591 C00034244
3DMET: B02518
NIKKAJI: J2.360.563E
LinkDB
KCF data

ATOM        62
            1   C1y C    18.4422  -21.4313
            2   C1y C    18.3975  -22.8195
            3   O2x O    17.1670  -20.7744
            4   C1y C    17.2247  -23.5262
            5   O1a O    19.6256  -23.4899
            6   C1y C    16.0594  -21.4985
            7   C1y C    16.0103  -22.8676
            8   O1a O    17.2590  -24.8953
            9   C1a C    14.7912  -20.8308
            10  O1a O    14.8509  -23.5745
            11  C1y C    23.1751  -18.7116
            12  C1y C    23.1625  -20.0765
            13  O2x O    21.9834  -18.0118
            14  C1y C    21.9722  -20.7513
            15  O2a O    24.3377  -20.7650
            16  C1y C    20.7905  -18.6915
            17  C1y C    20.7857  -20.0543
            18  O1a O    21.9560  -22.1222
            19  C1y C    25.4658  -21.4791
            20  C1b C    19.6136  -18.0005
            21  O2a O    19.5898  -20.7391
            22  O2x O    25.4929  -22.8532
            23  C1y C    26.7355  -20.8288
            24  O1a O    19.6099  -16.6179
            25  C1y C    26.6617  -23.5625
            26  C1y C    27.8375  -21.5440
            27  O1a O    26.7723  -19.4315
            28  C1y C    27.8727  -22.9205
            29  C1b C    26.6137  -24.9392
            30  O1a O    29.1124  -20.8909
            31  O1a O    29.0333  -23.6274
            32  C1z C    31.5104  -13.9388
            33  C1y C    32.7094  -13.2710
            34  C1y C    31.4987  -15.2963
            35  C1x C    30.3288  -13.2477
            36  C1a C    31.5045  -12.5741
            37  C1y C    33.8957  -13.9678
            38  C1y C    32.7151  -11.8890
            39  C1y C    30.3114  -15.9757
            40  C1x C    33.8665  -15.3325
            41  C1x C    29.1541  -13.9200
            42  O2x O    35.0714  -13.2769
            43  C1z C    35.0714  -11.9006
            44  C1a C    31.7340  -10.9266
            45  C1y C    29.1424  -15.2847
            46  C1x C    30.3114  -17.3519
            47  C1x C    36.2461  -12.5917
            48  O2x O    35.0714  -10.5373
            49  C1z C    27.9492  -15.9641
            50  C1x C    29.1237  -18.0253
            51  C1x C    37.4451  -11.9006
            52  C1x C    36.2461   -9.8579
            53  C1y C    27.9377  -17.3461
            54  C1x C    26.7559  -15.2788
            55  C1a C    27.9318  -14.5937
            56  C1y C    37.4451  -10.5373
            57  C1x C    26.7559  -18.0253
            58  C1x C    25.5755  -15.9641
            59  C1a C    38.6255   -9.8579
            60  C1y C    25.5755  -17.3461
            61  O2a O    24.3880  -18.0253
            62  O1a O    25.3837  -25.5934
BOND        70
            1     1   3 1
            2     2   4 1
            3     2   5 1 #Down
            4     3   6 1
            5     4   7 1
            6     4   8 1 #Down
            7     6   9 1 #Down
            8     7  10 1 #Up
            9     6   7 1
            10   11  12 1
            11   11  13 1
            12   12  14 1
            13   12  15 1 #Down
            14   13  16 1
            15   14  17 1
            16   14  18 1 #Up
            17   19  15 1 #Up
            18   16  20 1 #Up
            19   17  21 1 #Down
            20   19  22 1
            21   19  23 1
            22   20  24 1
            23   22  25 1
            24   23  26 1
            25   23  27 1 #Down
            26   25  28 1
            27   25  29 1 #Up
            28   26  30 1 #Up
            29   28  31 1 #Down
            30   16  17 1
            31   26  28 1
            32    1   2 1
            33   32  33 1
            34   32  34 1
            35   32  35 1
            36   32  36 1 #Up
            37   33  37 1
            38   33  38 1
            39   34  39 1
            40   34  40 1
            41   35  41 1
            42   37  42 1
            43   38  43 1
            44   38  44 1 #Down
            45   39  45 1
            46   39  46 1
            47   43  47 1
            48   43  48 1 #Down
            49   45  49 1
            50   46  50 1
            51   47  51 1
            52   48  52 1
            53   49  53 1
            54   49  54 1
            55   49  55 1 #Up
            56   51  56 1
            57   53  57 1
            58   54  58 1
            59   56  59 1 #Up
            60   57  60 1
            61   60  61 1 #Up
            62   37  40 1
            63   41  45 1
            64   42  43 1
            65   50  53 1
            66   52  56 1
            67   58  60 1
            68   11  61 1 #Up
            69    1  21 1 #Up
            70   29  62 1

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