KEGG   COMPOUND: C08975
Entry
C08975                      Compound                               
Name
Saikosaponin A
Formula
C42H68O13
Exact mass
780.466
Mol weight
780.9815
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C08975  Saikosaponin A
Other DBs
CAS: 20736-09-8
PubChem: 11167
ChEBI: 8996
KNApSAcK: C00003548
3DMET: B02577
NIKKAJI: J221.227G
LinkDB
KCF data

ATOM        55
            1   C1y C    25.7958  -17.4804
            2   C1y C    25.8321  -18.8797
            3   O2x O    24.5708  -16.8129
            4   C1y C    24.6461  -19.6063
            5   O1a O    27.0601  -19.5419
            6   C1y C    23.3818  -17.5447
            7   O2a O    24.6772  -21.0027
            8   C1y C    23.4131  -18.9409
            9   C1a C    22.1516  -16.8744
            10  C1y C    23.4832  -21.7313
            11  O1a O    22.2270  -19.6675
            12  O2x O    22.2583  -21.0637
            13  C1y C    23.4497  -23.1306
            14  C1y C    21.0643  -21.7929
            15  C1y C    22.3344  -23.8436
            16  O1a O    24.7475  -23.7929
            17  C1y C    21.0382  -23.1783
            18  C1b C    19.8392  -21.1253
            19  O1a O    22.3727  -25.2390
            20  O1a O    19.9151  -23.9055
            21  O1a O    19.8002  -19.7313
            22  C1z C    34.2115  -12.6328
            23  C1y C    35.4898  -11.9557
            24  C1z C    34.2640  -14.0221
            25  O2x O    34.6377  -11.3485
            26  C2x C    33.0791  -11.9266
            27  C1z C    36.6808  -12.6621
            28  C1x C    35.5074  -10.5663
            29  C1z C    33.0557  -14.7109
            30  C1x C    35.4548  -14.7343
            31  C1a C    34.2465  -15.4114
            32  C1x C    36.3071  -11.3078
            33  C2x C    31.8649  -12.6153
            34  C1y C    36.6691  -14.0512
            35  C1x C    37.8948  -11.9907
            36  C1z C    36.7215   -9.8892
            37  C1y C    31.8531  -14.0046
            38  C1x C    33.0557  -16.1059
            39  C1a C    33.6035  -13.3099
            40  O1a O    37.8715  -14.7634
            41  C1x C    37.8424  -10.6014
            42  C1a C    36.0094   -8.6751
            43  C1a C    37.4103   -8.6751
            44  C1z C    30.6448  -14.6992
            45  C1x C    31.8414  -16.8008
            46  C1y C    30.6390  -16.0943
            47  C1x C    29.4366  -14.0046
            48  C1a C    30.6332  -13.3041
            49  C1z C    29.4366  -16.7948
            50  C1x C    28.2223  -14.6992
            51  C1y C    28.2223  -16.0943
            52  C1b C    29.7926  -18.1433
            53  C1a C    28.7244  -18.0032
            54  O2a O    27.0140  -16.7948
            55  O1a O    30.4792  -19.3426
BOND        62
            1    13  15 1
            2    13  16 1 #Down
            3    14  17 1
            4    14  18 1 #Up
            5    15  19 1 #Up
            6    17  20 1 #Down
            7    18  21 1
            8     6   8 1
            9    15  17 1
            10    1   2 1
            11    1   3 1
            12    2   4 1
            13    2   5 1 #Down
            14    3   6 1
            15    4   7 1 #Up
            16    4   8 1
            17    6   9 1 #Up
            18   10   7 1 #Up
            19    8  11 1 #Up
            20   10  12 1
            21   10  13 1
            22   12  14 1
            23   22  23 1
            24   22  24 1
            25   22  25 1 #Up
            26   22  26 1
            27   23  27 1
            28   23  28 1
            29   24  29 1
            30   24  30 1
            31   24  31 1 #Down
            32   25  32 1
            33   26  33 2
            34   27  34 1
            35   27  35 1
            36   28  36 1
            37   29  37 1
            38   29  38 1
            39   29  39 1 #Up
            40   34  40 1 #Up
            41   35  41 1
            42   36  42 1
            43   36  43 1
            44   37  44 1
            45   38  45 1
            46   44  46 1
            47   44  47 1
            48   44  48 1 #Up
            49   46  49 1
            50   47  50 1
            51   49  51 1
            52   49  52 1 #Down
            53   49  53 1 #Up
            54   51  54 1 #Up
            55   27  32 1 #Up
            56   30  34 1
            57   33  37 1
            58   36  41 1
            59   45  46 1
            60   50  51 1
            61    1  54 1 #Up
            62   52  55 1

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