KEGG   COMPOUND: C08880Help
Entry
C08880                      Compound                               

Name
Scilliroside;
Scillirosidin 3-O-beta-D-glucoside
Formula
C32H44O12
Exact mass
620.2833
Mol weight
620.6846
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  24-Carbon atoms
   Bufanolide derivatives
    C08880  Scilliroside
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST01 Sterols
   ST0113 Bufanolides and derivatives
    C08880  Scilliroside
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Bufanolide
    C08880  Scilliroside
Pesticides [BR:br08007]
 Obsolete pesticides
  Rodenticides
   Others
    C08880  Scilliroside
Animal drugs in Japan [BR:br08331]
 99  Agents for not mainly purpose of therapeutic
  994  Rodentickides
   9949  Other rodenticides
    C08880  Scilliroside
BRITE hierarchy
Other DBs
CAS: 
507-60-8
PubChem: 
ChEBI: 
LIPIDMAPS: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        44
            1   C1y C    22.1191  -23.8545
            2   O2x O    20.9219  -23.1643
            3   C1y C    22.1086  -25.2417
            4   C1y C    19.7200  -23.8513
            5   C1y C    20.9148  -25.9264
            6   O1a O    23.3029  -25.9367
            7   C1y C    19.7205  -25.2313
            8   C1b C    18.5278  -23.1640
            9   O1a O    20.9104  -27.3034
            10  O1a O    18.5188  -25.9181
            11  C1z C    30.4963  -20.4267
            12  C1z C    29.2952  -21.1090
            13  C1z C    30.5139  -19.0509
            14  C1x C    32.8695  -20.4560
            15  O1a O    30.4846  -21.8028
            16  C1y C    28.1116  -20.4093
            17  C1x C    29.2952  -22.4851
            18  O1a O    29.2836  -19.7213
            19  C1y C    31.7092  -18.3802
            20  C1x C    29.3186  -18.3569
            21  C1a C    30.5022  -17.6689
            22  C1x C    32.8869  -19.0799
            23  C1z C    26.9163  -21.0973
            24  C1x C    28.1233  -19.0333
            25  C1y C    28.0999  -23.1731
            26  C8y C    31.7208  -16.9925
            27  C2y C    26.9804  -22.4791
            28  C1x C    25.7268  -20.4036
            29  C1a C    26.9046  -19.7155
            30  O7a O    28.0940  -24.5549
            31  C8x C    32.9102  -16.2987
            32  C8x C    30.5255  -16.3104
            33  C2x C    25.7268  -23.1672
            34  C1x C    24.5200  -21.0973
            35  C7a C    29.2836  -25.2313
            36  C8x C    32.9045  -14.9168
            37  O7x O    30.5139  -14.9284
            38  C1y C    24.5200  -22.4791
            39  C1a C    29.2893  -26.6132
            40  O6a O    30.4846  -24.5432
            41  C8y C    31.7092  -14.2347
            42  O2a O    23.3304  -23.1672
            43  O6a O    31.6975  -12.8557
            44  O1a O    17.3201  -23.8623
BOND        49
            1     5   7 1
            2     1   2 1
            3     1   3 1
            4     2   4 1
            5     3   5 1
            6     3   6 1 #Down
            7     4   7 1
            8     4   8 1 #Up
            9     5   9 1 #Up
            10    7  10 1 #Down
            11   11  12 1
            12   11  13 1
            13   11  14 1
            14   11  15 1 #Up
            15   12  16 1
            16   12  17 1
            17   12  18 1 #Up
            18   13  19 1
            19   13  20 1
            20   13  21 1 #Up
            21   14  22 1
            22   16  23 1
            23   16  24 1
            24   17  25 1
            25   19  26 1
            26   23  27 1
            27   23  28 1
            28   23  29 1 #Up
            29   25  30 1 #Up
            30   26  31 1
            31   26  32 2
            32   27  33 2
            33   28  34 1
            34   30  35 1
            35   31  36 2
            36   32  37 1
            37   33  38 1
            38   35  39 1
            39   35  40 2
            40   36  41 1
            41   38  42 1 #Up
            42   41  43 2
            43   19  22 1
            44   20  24 1
            45   25  27 1
            46   34  38 1
            47   37  41 1
            48    1  42 1 #Up
            49    8  44 1

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