KEGG   COMPOUND: C08886
Entry
C08886                      Compound                               

Name
Asparagoside A;
(25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside
Formula
C33H54O8
Exact mass
578.3819
Mol weight
578.7771
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0108 Spirostanols and derivatives
    C08886  Asparagoside A
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Spirostan
    C08886  Asparagoside A
Other DBs
CAS: 14835-43-9
PubChem: 11079
ChEBI: 15579
KNApSAcK: C00003563
3DMET: B02494
NIKKAJI: J13.959I
KCF data

ATOM        41
            1   C1y C    20.7695  -20.4170
            2   O2x O    19.5958  -19.7348
            3   C1y C    20.7618  -21.7773
            4   C1y C    18.4140  -20.4127
            5   C1y C    19.5878  -22.4531
            6   O1a O    21.9384  -22.4544
            7   C1y C    18.4112  -21.7758
            8   C1b C    17.2401  -19.7302
            9   O1a O    19.5800  -23.8134
            10  O1a O    17.2293  -22.4539
            11  O1a O    17.2330  -18.3612
            12  C1y C    30.2344  -15.0154
            13  C1z C    29.0572  -15.6797
            14  C1y C    31.4114  -15.7147
            15  C1y C    30.2401  -13.6576
            16  C1y C    29.0398  -17.0316
            17  C1x C    27.8859  -14.9921
            18  C1a C    29.0455  -14.3219
            19  O2x O    32.5769  -15.0271
            20  C1x C    31.4523  -16.9907
            21  C1z C    32.5826  -13.6635
            22  C1a C    29.2786  -12.7020
            23  C1y C    27.8626  -17.7076
            24  C1x C    26.7030  -15.6622
            25  C1x C    33.7539  -14.3452
            26  O2x O    32.5826  -12.3057
            27  C1y C    26.6914  -17.0200
            28  C1x C    27.8626  -19.0652
            29  C1x C    34.9310  -13.6635
            30  C1x C    33.7598  -11.6240
            31  C1z C    25.5144  -17.6959
            32  C1x C    26.6797  -19.7354
            33  C1y C    34.9368  -12.3057
            34  C1y C    25.5085  -19.0536
            35  C1x C    24.3431  -17.0141
            36  C1a C    25.5027  -16.3324
            37  C1a C    36.1139  -11.6240
            38  C1x C    24.3431  -19.7295
            39  C1x C    23.1602  -17.6959
            40  C1y C    23.1602  -19.0536
            41  O2a O    21.9830  -19.7295
BOND        47
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 1 #Down
            6     4   7 1
            7     4   8 1 #Up
            8     5   9 1 #Up
            9     7  10 1 #Down
            10    8  11 1
            11    5   7 1
            12   12  13 1
            13   12  14 1
            14   12  15 1
            15   13  16 1
            16   13  17 1
            17   13  18 1 #Up
            18   14  19 1
            19   14  20 1
            20   15  21 1
            21   15  22 1 #Down
            22   16  23 1
            23   17  24 1
            24   21  25 1
            25   21  26 1 #Down
            26   23  27 1
            27   23  28 1
            28   25  29 1
            29   26  30 1
            30   27  31 1
            31   28  32 1
            32   29  33 1
            33   31  34 1
            34   31  35 1
            35   31  36 1 #Up
            36   33  37 1 #Up
            37   34  38 1
            38   35  39 1
            39   38  40 1
            40   40  41 1 #Up
            41   16  20 1
            42   19  21 1
            43   24  27 1
            44   30  33 1
            45   32  34 1
            46   39  40 1
            47    1  41 1 #Up

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