KEGG   COMPOUND: C17431
Entry
C17431                      Compound                               
Name
Kanokoside D
Formula
C27H44O16
Exact mass
624.2629
Mol weight
624.6287
Structure
Brite
Glycosides [BR:br08021]
 O-glycosides
  Iridoid glycosides
   C17431  Kanokoside D
Other DBs
PubChem: 96023781
ChEBI: 81084
KNApSAcK: C00010647
NIKKAJI: J508.588H
LinkDB
KCF data

ATOM        43
            1   C1y C    30.1664  -23.5564
            2   O2x O    28.9023  -22.8542
            3   C1y C    30.1664  -25.0311
            4   O2a O    31.3603  -22.8542
            5   C1y C    27.7086  -23.5564
            6   C1y C    28.9023  -25.5929
            7   O1a O    31.3603  -25.5929
            8   C1y C    27.7086  -25.0311
            9   C1b C    26.5147  -22.8542
            10  O1a O    28.9023  -27.0675
            11  O1a O    26.5147  -25.6631
            12  O2a O    25.1805  -23.5564
            13  C1b C    32.4837  -22.0817
            14  C2y C    32.4837  -20.6772
            15  C1y C    33.6776  -20.0452
            16  C1y C    33.6776  -18.6408
            17  C1y C    32.4837  -17.9386
            18  O2x O    31.3603  -18.5706
            19  C2x C    31.3603  -19.9750
            20  C1x C    35.0118  -20.4666
            21  C1y C    35.8546  -19.3431
            22  C1y C    35.0118  -18.1492
            23  C1b C    35.0118  -16.7448
            24  O1a O    36.2056  -16.1128
            25  O7a O    32.4837  -16.5340
            26  C7a C    31.2900  -15.8319
            27  C1b C    30.0962  -16.4638
            28  C1c C    28.9023  -15.8319
            29  C1a C    27.7086  -16.4638
            30  O6a O    31.2900  -14.4976
            31  C1y C    23.4952  -24.4694
            32  O2x O    22.3013  -23.7671
            33  C1y C    21.1076  -24.4694
            34  C1y C    21.1076  -25.8739
            35  C1y C    22.3013  -26.5059
            36  C1y C    23.4952  -25.8037
            37  O1a O    22.3013  -27.9103
            38  C1b C    19.8435  -23.7671
            39  O1a O    18.6497  -24.3992
            40  O1a O    19.9137  -26.5760
            41  O1a O    24.6889  -26.5059
            42  C1a C    28.9015  -14.3997
            43  O1a O    37.2393  -19.3628
BOND        46
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Down
            7     5   8 1
            8     5   9 1 #Up
            9     6  10 1 #Up
            10    8  11 1 #Down
            11    9  12 1
            12    6   8 1
            13    4  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   14  19 2
            21   15  20 1
            22   20  21 1
            23   21  22 1
            24   16  22 1
            25   22  23 1 #Down
            26   23  24 1
            27   17  25 1 #Up
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   26  30 2
            33   31  12 1 #Up
            34   31  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   35  36 1
            39   31  36 1
            40   35  37 1 #Up
            41   33  38 1 #Up
            42   38  39 1
            43   34  40 1 #Down
            44   36  41 1 #Down
            45   28  42 1
            46   21  43 1 #Up

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