KEGG   COMPOUND: C13470
Entry
C13470                      Compound                               
Name
Lanatoside C
Formula
C49H76O20
Exact mass
984.493
Mol weight
985.1157
Structure
Remark
Same as: D01972
Brite
Glycosides [BR:br08021]
 O-glycosides
  Cardiac glycosides
   C13470  Lanatoside C
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01A CARDIAC GLYCOSIDES
    C01AA Digitalis glycosides
     C01AA06 Lanatoside C
      D01972  Lanatoside C (JAN/INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01703  Cardiotonic
   DG01698  Cardiac glycoside
    DG01697  Digitalis cardiac glycoside
     D01972  Lanatoside C
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   ATPase
    ATP1A
     D01972  Lanatoside C (JAN/INN)
Other DBs
CAS: 17575-22-3
PubChem: 586208
LinkDB
KCF data

ATOM        69
            1   C1y C     8.1137  -18.6439
            2   C1y C     8.1137  -20.0149
            3   C1y C     9.3009  -20.7004
            4   O2x O    10.4882  -20.0149
            5   C1y C    10.4882  -18.6439
            6   C1y C     9.3009  -17.9584
            7   O2a O    11.6768  -17.9576
            8   C1y C    12.8656  -18.6439
            9   C1y C    12.8656  -20.0149
            10  C1x C    14.0529  -20.7004
            11  C1y C    15.2402  -20.0149
            12  O2x O    15.2402  -18.6439
            13  C1y C    14.0529  -17.9584
            14  O2a O    16.7766  -20.7004
            15  C1y C    18.1715  -20.0149
            16  C1y C    19.3601  -20.7011
            17  O2x O    20.5475  -20.0157
            18  C1y C    20.5475  -18.6445
            19  C1x C    19.3588  -17.9584
            20  C1y C    18.1715  -18.6439
            21  O2a O    21.8755  -17.9584
            22  C1y C    23.4090  -18.6439
            23  C1y C    23.4090  -20.0149
            24  C1x C    24.5965  -20.7004
            25  C1y C    25.7838  -20.0149
            26  O2x O    25.7838  -18.6439
            27  C1y C    24.5965  -17.9584
            28  O2a O    26.9746  -20.7004
            29  C1y C    28.1620  -20.0149
            30  O1a O     9.3009  -16.5873
            31  O1a O     6.9262  -17.9584
            32  O1a O     6.9262  -20.7004
            33  C1b C     9.3009  -22.0712
            34  O1a O     8.1142  -22.7564
            35  O7a O    11.6786  -20.7001
            36  C7a C    11.6796  -22.0764
            37  C1a C    12.8700  -22.7627
            38  O6a O    10.4930  -22.7625
            39  C1a C    14.0529  -16.5923
            40  O1a O    16.9917  -17.9625
            41  C1a C    19.3600  -22.0780
            42  O1a O    22.2253  -20.6984
            43  C1a C    24.5966  -16.5924
            44  C1x C    29.3600  -20.7066
            45  C1y C    30.5477  -20.0208
            46  C1z C    30.5477  -18.6494
            47  C1x C    29.3496  -17.9577
            48  C1x C    28.1620  -18.6434
            49  C1x C    31.7356  -20.7066
            50  C1x C    32.9232  -20.0208
            51  C1y C    32.9232  -18.6494
            52  C1y C    31.7356  -17.9636
            53  C1z C    34.1110  -17.9636
            54  C1z C    34.1110  -16.5922
            55  C1y C    32.9232  -15.9064
            56  C1x C    31.7356  -16.5922
            57  C1x C    36.4863  -17.9636
            58  C1x C    36.4863  -16.5922
            59  C1y C    35.2987  -15.9064
            60  C2y C    35.2987  -14.2580
            61  C1x C    36.4116  -13.4494
            62  O7x O    35.9866  -12.1410
            63  C7x C    34.6108  -12.1410
            64  C2x C    34.1857  -13.4494
            65  O6a O    33.8139  -11.0441
            66  C1a C    34.1112  -15.2195
            67  O1a O    34.1112  -19.3296
            68  O1a O    32.9106  -14.5268
            69  C1a C    30.5553  -17.2515
BOND        77
            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     5   7 1 #Down
            8     8   7 1 #Down
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    8  13 1
            15   11  14 1 #Up
            16   15  14 1 #Up
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   15  20 1
            23   18  21 1 #Down
            24   22  21 1 #Down
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   22  27 1
            31   25  28 1 #Up
            32   29  28 1 #Up
            33    6  30 1 #Up
            34    1  31 1 #Down
            35    2  32 1 #Up
            36    3  33 1 #Down
            37   33  34 1
            38    9  35 1 #Down
            39   35  36 1
            40   36  37 1
            41   36  38 2
            42   13  39 1 #Up
            43   20  40 1 #Up
            44   16  41 1 #Down
            45   23  42 1 #Down
            46   27  43 1 #Up
            47   29  44 1
            48   44  45 1
            49   45  46 1
            50   46  47 1
            51   47  48 1
            52   29  48 1
            53   45  49 1
            54   49  50 1
            55   50  51 1
            56   51  52 1
            57   46  52 1
            58   51  53 1
            59   53  54 1
            60   54  55 1
            61   55  56 1
            62   52  56 1
            63   53  57 1
            64   57  58 1
            65   58  59 1
            66   54  59 1
            67   59  60 1 #Up
            68   60  61 1
            69   61  62 1
            70   62  63 1
            71   63  64 1
            72   60  64 2
            73   63  65 2
            74   54  66 1 #Up
            75   53  67 1 #Up
            76   55  68 1 #Up
            77   46  69 1 #Up

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