KEGG   COMPOUND: C08924Help
Entry
C08924                      Compound                               

Name
Astragaloside III
Formula
C41H68O14
Exact mass
784.4609
Mol weight
784.9702
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Protostanes
    C08924  Astragaloside III
BRITE hierarchy
Other DBs
CAS: 84687-42-3
PubChem: 11116
ChEBI: 2897
KNApSAcK: C00003500
3DMET: B02529
NIKKAJI: J592.791I
KCF data Show

ATOM        55
            1   C1y C    20.5741  -30.9321
            2   C1y C    20.5593  -32.3208
            3   O2x O    19.3665  -30.2453
            4   O2a O    21.7600  -33.0147
            5   C1y C    19.3658  -33.0103
            6   C1x C    18.2321  -30.9326
            7   C1y C    21.7700  -34.4093
            8   C1y C    18.1682  -32.3114
            9   O1a O    19.3576  -34.3876
            10  O2x O    20.4902  -35.0716
            11  C1y C    22.9516  -35.1055
            12  O1a O    16.9676  -32.9995
            13  C1y C    20.5286  -36.4567
            14  C1y C    22.9275  -36.4871
            15  O1a O    24.1533  -34.4319
            16  C1y C    21.7203  -37.1659
            17  C1b C    19.3157  -37.1310
            18  O1a O    24.1132  -37.2061
            19  O1a O    21.6982  -38.5554
            20  C1y C    31.6818  -22.6623
            21  C1d C    32.7154  -21.6890
            22  C1z C    30.2789  -24.4131
            23  O2x O    31.6853  -24.0465
            24  C1x C    30.4565  -22.1694
            25  C1x C    29.5850  -23.2485
            26  C1z C    26.7171  -27.8112
            27  C1z C    25.4499  -28.5111
            28  C1y C    27.8967  -28.5228
            29  C1x C    25.5082  -27.1254
            30  C1x C    26.7288  -26.4312
            31  C1y C    25.5139  -29.8969
            32  C1x C    24.3284  -27.8112
            33  C1z C    29.1081  -27.8287
            34  C1x C    27.8967  -29.9086
            35  C1x C    27.9273  -25.7632
            36  C1y C    26.7054  -30.5826
            37  C1z C    24.3284  -30.5766
            38  C1x C    23.1182  -28.5111
            39  C1z C    29.1257  -26.4618
            40  C1x C    31.4909  -27.8652
            41  C1a C    29.0906  -29.2087
            42  O1a O    26.6937  -31.9624
            43  C1y C    23.1182  -29.8969
            44  C1a C    23.8115  -31.8515
            45  C1a C    25.2349  -31.9215
            46  C1y C    30.3287  -25.7864
            47  C1a C    29.1140  -25.0760
            48  C1y C    31.5085  -26.4909
            49  O2a O    21.9268  -30.5766
            50  O1a O    32.7187  -25.8158
            51  C1a C    29.1374  -23.7021
            52  C1a C    33.6958  -20.6878
            53  O1a O    34.0564  -22.0382
            54  C1a C    32.3455  -20.3343
            55  O1a O    18.1149  -36.4115
BOND        62
            1     7  11 1
            2     8  12 1 #Down
            3    10  13 1
            4    11  14 1
            5    11  15 1 #Down
            6    13  16 1
            7    13  17 1 #Up
            8    14  18 1 #Up
            9    16  19 1 #Down
            10    6   8 1
            11   14  16 1
            12    1   2 1
            13   20  21 1 #Up
            14    1   3 1
            15    2   4 1 #Down
            16    2   5 1
            17    3   6 1
            18   22  23 1
            19   23  20 1
            20   20  24 1
            21   24  25 1
            22   25  22 1
            23    7   4 1 #Up
            24   26  27 1
            25   26  28 1
            26   26  29 1 #Up
            27   26  30 1
            28   27  31 1
            29   27  32 1
            30   28  33 1
            31   28  34 1
            32   30  35 1
            33   31  36 1
            34   31  37 1
            35   32  38 1
            36   33  39 1
            37   33  40 1
            38   33  41 1 #Down
            39   36  42 1 #Down
            40   37  43 1
            41   37  44 1
            42   37  45 1
            43   39  46 1
            44   39  47 1 #Up
            45   40  48 1
            46   43  49 1 #Up
            47   46  22 1
            48   48  50 1 #Up
            49   22  51 1 #Down
            50   27  29 1 #Up
            51   34  36 1
            52   35  39 1
            53   38  43 1
            54   46  48 1
            55    5   8 1
            56   21  52 1
            57    5   9 1 #Up
            58   21  53 1
            59    7  10 1
            60   21  54 1
            61    1  49 1 #Up
            62   17  55 1

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