KEGG   COMPOUND: C08897Help
Entry
C08897                      Compound                               

Name
Dioscin;
3-O-[alpha-L-Rha-(1->4)-[alpha-L-Rha-(1->2)]-beta-D-Glc]diosgenin
Formula
C45H72O16
Exact mass
868.482
Mol weight
869.0436
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
3.2.1.189       3.2.1.190
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Spirostan
    C08897  Dioscin
Glycosides [BR:br08021]
 O-glycosides
  Saponins
   Steroid
    C08897  Dioscin
BRITE hierarchy
Other DBs
CAS: 19057-60-4
PubChem: 11090
ChEBI: 74023
ChEMBL: CHEMBL507001
KNApSAcK: C00003575
3DMET: B02505
NIKKAJI: J15.520I
KCF data Show

ATOM        61
            1   C1y C    18.3564  -21.8308
            2   C1y C    18.3518  -23.2056
            3   O2x O    17.1647  -21.1506
            4   C1y C    17.1676  -23.8860
            5   O1a O    19.5604  -23.9031
            6   C1y C    15.9688  -21.8227
            7   C1y C    15.9839  -23.2076
            8   O1a O    17.1661  -25.2659
            9   C1a C    14.7851  -21.1445
            10  O1a O    14.7831  -23.8830
            11  C1y C    25.5328  -21.8357
            12  C1y C    26.7173  -21.1561
            13  O2x O    25.5268  -23.2137
            14  C1y C    27.9112  -21.8462
            15  O1a O    26.7305  -19.7794
            16  C1y C    26.7075  -23.9043
            17  C1y C    27.9000  -23.2271
            18  O1a O    29.0985  -21.1719
            19  C1a C    26.6972  -25.2981
            20  O1a O    29.0829  -23.9097
            21  C1y C    23.1449  -19.0886
            22  C1y C    23.1428  -20.4515
            23  O2x O    21.9529  -18.3990
            24  C1y C    21.9573  -21.1445
            25  O2a O    24.3350  -21.1411
            26  C1y C    20.7737  -19.0810
            27  C1y C    20.7652  -20.4549
            28  O1a O    21.9551  -22.5074
            29  C1b C    19.5781  -18.3973
            30  O2a O    19.5803  -21.1470
            31  C1z C    31.4065  -14.3192
            32  C1y C    32.6790  -13.6452
            33  C1y C    31.4591  -15.6789
            34  C1x C    30.3047  -13.6219
            35  C1a C    31.3950  -12.9362
            36  C1y C    33.7983  -14.3366
            37  C1y C    32.6848  -12.2738
            38  C1y C    30.2813  -16.3530
            39  C1x C    33.8333  -15.7080
            40  C1x C    29.1152  -14.2959
            41  O2x O    35.0346  -13.6510
            42  C1z C    34.9704  -12.2738
            43  C1a C    31.7053  -11.3070
            44  C1y C    29.1035  -15.6673
            45  C1x C    30.2813  -17.7243
            46  C1x C    36.2239  -12.9653
            47  O2x O    35.0404  -10.9151
            48  C1z C    27.9257  -16.3413
            49  C2x C    29.0976  -18.4043
            50  C1x C    37.4017  -12.2738
            51  C1x C    36.2299  -10.2352
            52  C2y C    27.9141  -17.7184
            53  C1x C    26.7305  -15.6614
            54  C1a C    27.9083  -14.9757
            55  C1y C    37.4134  -10.9209
            56  C1x C    26.7305  -18.3983
            57  C1x C    25.5468  -16.3413
            58  C1a C    38.5971  -10.2352
            59  C1y C    25.5468  -17.7184
            60  O2a O    24.3632  -18.3983
            61  O1a O    18.3797  -19.0961
BOND        69
            1    12  15 1 #Down
            2    13  16 1
            3    14  17 1
            4    14  18 1 #Down
            5    16  19 1 #Down
            6    17  20 1 #Up
            7    16  17 1
            8     6   7 1
            9     1   2 1
            10    1   3 1
            11    2   4 1
            12    2   5 1 #Down
            13    3   6 1
            14    4   7 1
            15    4   8 1 #Down
            16    6   9 1 #Down
            17    7  10 1 #Up
            18   21  22 1
            19   21  23 1
            20   22  24 1
            21   22  25 1 #Down
            22   23  26 1
            23   24  27 1
            24   24  28 1 #Up
            25   26  29 1 #Up
            26   27  30 1 #Down
            27   26  27 1
            28   11  12 1
            29   11  13 1
            30   12  14 1
            31   31  32 1
            32   31  33 1
            33   31  34 1
            34   31  35 1 #Up
            35   32  36 1
            36   32  37 1
            37   33  38 1
            38   33  39 1
            39   34  40 1
            40   36  41 1
            41   37  42 1
            42   37  43 1 #Down
            43   38  44 1
            44   38  45 1
            45   42  46 1
            46   42  47 1 #Down
            47   44  48 1
            48   45  49 1
            49   46  50 1
            50   47  51 1
            51   48  52 1
            52   48  53 1
            53   48  54 1 #Up
            54   50  55 1
            55   52  56 1
            56   53  57 1
            57   55  58 1 #Down
            58   56  59 1
            59   59  60 1 #Up
            60   36  39 1
            61   40  44 1
            62   41  42 1
            63   49  52 2
            64   51  55 1
            65   57  59 1
            66   21  60 1 #Up
            67   11  25 1 #Up
            68    1  30 1 #Up
            69   29  61 1

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