KEGG   COMPOUND: C08906
Entry
C08906                      Compound                               
Name
Parillin
Formula
C51H84O22
Exact mass
1048.5454
Mol weight
1049.1995
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Spirostan
    C08906  Parillin
Other DBs
CAS: 19057-61-5
PubChem: 11098
ChEBI: 7932
KNApSAcK: C00003584
3DMET: B02512
NIKKAJI: J15.521G
KCF data

ATOM        73
            1   C1y C    23.2139  -18.7247
            2   C1y C    23.2298  -20.1016
            3   O2x O    22.0075  -18.0498
            4   C1y C    22.0438  -20.8079
            5   O2a O    24.4376  -20.7696
            6   C1y C    20.8918  -18.7696
            7   C1y C    20.8537  -20.1421
            8   O1a O    22.0678  -22.1827
            9   C1y C    25.6452  -21.4706
            10  C1b C    19.6254  -18.1006
            11  O2a O    19.6574  -20.8545
            12  O2x O    25.5902  -22.8363
            13  C1y C    26.8212  -20.7806
            14  O2a O    19.6086  -16.7015
            15  C1y C    18.4527  -21.5704
            16  C1y C    26.8555  -23.5159
            17  C1y C    28.0094  -21.4362
            18  O1a O    26.7967  -19.3987
            19  C1y C    18.3899  -16.0131
            20  C1y C    18.4635  -22.9445
            21  O2x O    17.2491  -20.8905
            22  C1y C    28.0256  -22.8012
            23  C1b C    26.8768  -24.8780
            24  O1a O    29.1888  -20.7375
            25  O2x O    18.4089  -14.6361
            26  C1y C    17.2074  -16.7481
            27  C1y C    17.2724  -23.6480
            28  O1a O    19.6590  -23.6130
            29  C1y C    16.1315  -21.5878
            30  O1a O    29.2315  -23.4762
            31  C1y C    17.1286  -13.9942
            32  C1y C    15.9973  -16.1060
            33  O1a O    17.2601  -18.1458
            34  C1y C    16.0740  -22.9709
            35  O1a O    17.2942  -25.0148
            36  C1a C    14.8658  -20.9057
            37  C1y C    16.0143  -14.7212
            38  C1b C    17.0727  -12.6145
            39  O1a O    14.8073  -16.8432
            40  O1a O    14.8944  -23.6659
            41  O1a O    14.7343  -14.0646
            42  O1a O    18.2627  -11.8771
            43  C1z C    31.5785  -13.9403
            44  C1y C    32.7769  -13.2794
            45  C1y C    31.5669  -15.3051
            46  C1x C    30.4060  -13.2490
            47  C1a C    31.5726  -12.5649
            48  C1y C    33.9679  -13.9707
            49  C1y C    32.7826  -11.9030
            50  C1y C    30.3816  -15.9964
            51  C1x C    33.9318  -15.3342
            52  C1x C    29.2136  -13.9287
            53  O2x O    35.1475  -13.2794
            54  C1z C    35.1475  -11.9030
            55  C1a C    31.8117  -10.9321
            56  C1y C    29.2020  -15.2935
            57  C1x C    30.3816  -17.3600
            58  C1x C    36.3387  -12.5882
            59  O2x O    35.1532  -10.5394
            60  C1z C    28.0050  -15.9717
            61  C1x C    29.1846  -18.0452
            62  C1x C    37.5310  -11.9030
            63  C1x C    36.3387   -9.8481
            64  C1y C    27.9993  -17.3543
            65  C1x C    26.8256  -15.2935
            66  C1a C    27.9934  -14.6083
            67  C1y C    37.5310  -10.5394
            68  C1x C    26.8256  -18.0395
            69  C1x C    25.6344  -15.9717
            70  C1a C    38.7163   -9.8481
            71  C1y C    25.6344  -17.3543
            72  O2a O    24.4305  -18.0395
            73  O1a O    25.6815  -25.5933
BOND        82
            1    29  36 1 #Down
            2    31  37 1
            3    31  38 1 #Up
            4    32  39 1 #Up
            5    34  40 1 #Up
            6    37  41 1 #Down
            7    38  42 1
            8     6   7 1
            9    17  22 1
            10   29  34 1
            11   32  37 1
            12    1   2 1
            13    1   3 1
            14    2   4 1
            15    2   5 1 #Down
            16    3   6 1
            17    4   7 1
            18    4   8 1 #Up
            19    9   5 1 #Up
            20    6  10 1 #Up
            21    7  11 1 #Down
            22    9  12 1
            23    9  13 1
            24   10  14 1
            25   15  11 1 #Up
            26   12  16 1
            27   13  17 1
            28   13  18 1 #Down
            29   19  14 1 #Up
            30   15  20 1
            31   15  21 1
            32   16  22 1
            33   16  23 1 #Up
            34   17  24 1 #Up
            35   19  25 1
            36   19  26 1
            37   20  27 1
            38   20  28 1 #Down
            39   21  29 1
            40   22  30 1 #Down
            41   25  31 1
            42   26  32 1
            43   26  33 1 #Down
            44   27  34 1
            45   27  35 1 #Down
            46   43  44 1
            47   43  45 1
            48   43  46 1
            49   43  47 1 #Up
            50   44  48 1
            51   44  49 1
            52   45  50 1
            53   45  51 1
            54   46  52 1
            55   48  53 1
            56   49  54 1
            57   49  55 1 #Down
            58   50  56 1
            59   50  57 1
            60   54  58 1
            61   54  59 1 #Down
            62   56  60 1
            63   57  61 1
            64   58  62 1
            65   59  63 1
            66   60  64 1
            67   60  65 1
            68   60  66 1 #Up
            69   62  67 1
            70   64  68 1
            71   65  69 1
            72   67  70 1 #Up
            73   68  71 1
            74   71  72 1 #Up
            75   48  51 1
            76   52  56 1
            77   53  54 1
            78   61  64 1
            79   63  67 1
            80   69  71 1
            81    1  72 1 #Up
            82   23  73 1

» Japanese version

DBGET integrated database retrieval system