KEGG   COMPOUND: C16749
Entry
C16749                      Compound                               
Name
Acetylgitaloxin;
alpha-Acetylgitaloxin
Formula
C44H66O16
Exact mass
850.4351
Mol weight
850.9852
Structure
Brite
Glycosides [BR:br08021]
 O-glycosides
  Cardiac glycosides
   C16749  Acetylgitaloxin
Other DBs
CAS: 7263-26-5
PubChem: 96023273
ChEBI: 53773
NIKKAJI: J2.805.544G
LinkDB
KCF data

ATOM        60
            1   C1y C    16.0300  -20.7900
            2   O2x O    16.0300  -19.3900
            3   C1y C    14.8400  -18.6900
            4   C1y C    13.5800  -19.3900
            5   C1y C    13.5800  -20.7900
            6   C1x C    14.8400  -21.4900
            7   C1y C    20.7900  -19.3900
            8   C1x C    19.6000  -18.6900
            9   C1y C    18.4100  -19.3900
            10  C1y C    18.4100  -20.7900
            11  C1y C    19.6000  -21.4200
            12  O2x O    20.7900  -20.7200
            13  C1y C    25.5500  -20.7900
            14  O2x O    25.5500  -19.3900
            15  C1y C    24.3600  -18.6900
            16  C1y C    23.1700  -19.3900
            17  C1y C    23.1700  -20.7900
            18  C1x C    24.3600  -21.4900
            19  C1x C    31.5700  -17.2900
            20  C1y C    31.5700  -18.6900
            21  C1y C    32.7600  -19.3900
            22  C1z C    33.9500  -18.6900
            23  C1z C    33.9500  -17.2900
            24  C1x C    32.7600  -16.5900
            25  C1x C    36.3300  -18.6900
            26  C1y C    36.3300  -17.2900
            27  C1y C    35.1400  -16.5900
            28  C1z C    30.3800  -19.3900
            29  C1y C    30.3800  -20.7900
            30  C1x C    31.5700  -21.4200
            31  C1x C    32.7600  -20.7900
            32  C1x C    29.1900  -18.6900
            33  C1x C    27.9300  -19.3900
            34  C1y C    27.9300  -20.7900
            35  C1x C    29.1900  -21.4200
            36  C2y C    35.1400  -15.1900
            37  C2x C    36.5400  -15.1900
            38  C7x C    36.9600  -13.8600
            39  O7x O    35.8400  -13.0900
            40  C1x C    34.7200  -13.9300
            41  O6a O    38.2900  -13.4400
            42  C1a C    33.9500  -15.8900
            43  O1a O    33.9500  -20.0900
            44  C1a C    30.3800  -17.9900
            45  O2a O    26.7400  -21.4200
            46  C1a C    24.3600  -17.2900
            47  O1a O    21.9800  -21.4200
            48  O2a O    21.9800  -18.6900
            49  C1a C    19.6000  -22.8200
            50  O2a O    17.2200  -21.4900
            51  O1a O    17.2200  -18.6900
            52  C1a C    14.8400  -17.2900
            53  O1a O    12.3900  -18.6900
            54  O7a O    12.4600  -21.4900
            55  C7a C    11.2000  -20.7900
            56  O6a O    10.0800  -21.4200
            57  C1a C    11.2000  -19.3900
            58  O2a O    37.5453  -16.5949
            59  C7a C    38.7337  -17.2877
            60  O6a O    39.9301  -16.6035
BOND        67
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12    7  12 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   13  18 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   19  24 1
            25   22  25 1
            26   25  26 1
            27   26  27 1
            28   23  27 1
            29   20  28 1
            30   28  29 1
            31   29  30 1
            32   30  31 1
            33   21  31 1
            34   28  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   29  35 1
            39   27  36 1
            40   36  37 2
            41   37  38 1
            42   38  39 1
            43   39  40 1
            44   36  40 1
            45   38  41 2
            46   23  42 1 #Up
            47   22  43 1 #Up
            48   28  44 1 #Up
            49   34  45 1 #Up
            50   13  45 1 #Up
            51   15  46 1 #Up
            52   17  47 1 #Down
            53   16  48 1 #Down
            54    7  48 1 #Down
            55   11  49 1 #Down
            56   10  50 1 #Up
            57    9  51 1 #Up
            58    1  50 1 #Up
            59    3  52 1 #Up
            60    4  53 1 #Down
            61    5  54 1 #Down
            62   54  55 1
            63   55  56 2
            64   55  57 1
            65   26  58 1 #Up
            66   58  59 1
            67   59  60 2

» Japanese version

DBGET integrated database retrieval system