KEGG   COMPOUND: C08932
Entry
C08932                      Compound                               

Name
Bayogenin 3-O-cellobioside
Formula
C42H68O15
Exact mass
812.4558
Mol weight
812.9803
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0106 C30 isoprenoids (triterpenes)
    PR010615 Oleanane triterpenoids
     C08932  Bayogenin 3-O-cellobioside
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Others
    C08932  Bayogenin 3-O-cellobioside
Glycosides [BR:br08021]
 O-glycosides
  Saponins
   Triterpenoid
    C08932  Bayogenin 3-O-cellobioside
Other DBs
CAS: 92622-05-4
PubChem: 11124
ChEBI: 2999
LIPIDMAPS: LMPR0106150009
KNApSAcK: C00003506
3DMET: B02537
NIKKAJI: J2.767.402J
KCF data

ATOM        57
            1   C1y C    18.2555  -33.4871
            2   O2x O    17.0298  -32.7928
            3   C1y C    18.2609  -34.8951
            4   C1y C    15.8064  -33.5013
            5   C1y C    17.0425  -35.6007
            6   O1a O    19.4736  -35.5900
            7   C1y C    15.8198  -34.9113
            8   C1b C    14.5989  -32.8033
            9   O1a O    17.0479  -37.0083
            10  O1a O    14.6226  -35.6184
            11  O1a O    14.6633  -31.3955
            12  C1y C    23.1142  -30.6584
            13  O2x O    21.8975  -29.9621
            14  C1y C    23.1185  -32.0642
            15  C1y C    20.7467  -30.6736
            16  C1y C    21.9057  -32.7735
            17  O1a O    24.3352  -32.7606
            18  C1y C    20.6888  -32.0772
            19  C1b C    19.4598  -29.9770
            20  O1a O    21.9155  -34.1691
            21  O2a O    19.4710  -32.7837
            22  O1a O    19.4558  -28.5714
            23  C1z C    30.4131  -27.8810
            24  C1z C    31.6281  -27.1800
            25  C1y C    29.2038  -27.1683
            26  C1x C    30.4131  -29.2829
            27  C1a C    31.0314  -26.4730
            28  C2y C    31.6457  -25.7837
            29  C1x C    32.8257  -27.8985
            30  C1a C    31.6107  -28.5820
            31  C1z C    27.9888  -27.8693
            32  C1x C    29.2155  -25.7662
            33  C1x C    29.1921  -29.9782
            34  C1y C    32.8550  -25.1060
            35  C2x C    30.4422  -25.0769
            36  C1x C    34.1166  -27.2091
            37  C1y C    27.9771  -29.2712
            38  C1x C    26.7736  -27.1624
            39  C1a C    27.9712  -26.4613
            40  C1z C    34.0583  -25.8130
            41  C1x C    32.8141  -23.7099
            42  C1z C    26.7736  -29.9722
            43  C1y C    25.5526  -27.8693
            44  C1x C    35.2793  -25.1353
            45  C6a C    35.2676  -26.5198
            46  C1z C    34.0934  -23.0263
            47  C1y C    25.5526  -29.2712
            48  C1b C    27.3631  -31.2733
            49  C1a C    26.1667  -31.1383
            50  O1a O    24.3317  -27.1624
            51  C1x C    35.3027  -23.7390
            52  O6a O    36.4828  -25.8071
            53  O6a O    35.2618  -27.9218
            54  C1a C    34.7944  -21.7996
            55  C1a C    33.3866  -21.7996
            56  O2a O    24.3317  -29.9722
            57  O1a O    28.6302  -31.9802
BOND        63
            1    13  15 1
            2    14  16 1
            3    14  17 1 #Down
            4    15  18 1
            5    15  19 1 #Up
            6    16  20 1 #Up
            7    18  21 1 #Down
            8    19  22 1
            9    16  18 1
            10    1  21 1 #Up
            11    5   7 1
            12    1   2 1
            13    1   3 1
            14    2   4 1
            15    3   5 1
            16    3   6 1 #Down
            17    4   7 1
            18    4   8 1 #Up
            19    5   9 1 #Up
            20    7  10 1 #Down
            21    8  11 1
            22   12  13 1
            23   12  14 1
            24   23  24 1
            25   23  25 1
            26   23  26 1
            27   23  27 1 #Up
            28   24  28 1
            29   24  29 1
            30   24  30 1 #Down
            31   25  31 1
            32   25  32 1
            33   26  33 1
            34   28  34 1
            35   28  35 2
            36   29  36 1
            37   31  37 1
            38   31  38 1
            39   31  39 1 #Up
            40   34  40 1
            41   34  41 1
            42   37  42 1
            43   38  43 1
            44   40  44 1
            45   40  45 1 #Up
            46   41  46 1
            47   42  47 1
            48   42  48 1 #Down
            49   42  49 1 #Up
            50   43  50 1 #Up
            51   44  51 1
            52   45  52 1
            53   45  53 2
            54   46  54 1
            55   46  55 1
            56   47  56 1 #Up
            57   32  35 1
            58   33  37 1
            59   36  40 1
            60   43  47 1
            61   46  51 1
            62   12  56 1 #Up
            63   48  57 1

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