COMPOUND: C16802


Entry
C16802                      Compound                               
Name
Glucofrangulin A
Formula
C27H30O14
Exact mass
578.1636
Mol weight
578.5187
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1304 Anthracenes and phenanthrenes
    C16802  Glucofrangulin A
Phytochemical compounds [BR:br08003]
 Polyketides
  Anthraquinones
   Anthraquinone type
    C16802  Glucofrangulin A
Glycosides [BR:br08021]
 O-glycosides
  Anthraquinone glycosides
   C16802  Glucofrangulin A
Other DBs
CAS: 21133-53-9
PubChem: 96023326
ChEBI: 80739
NIKKAJI: J226.147B
KCF data

ATOM        41
            1   C8y C    29.0437  -24.8765
            2   C8y C    29.0437  -23.4884
            3   C5x C    30.2236  -25.5705
            4   C8x C    27.7944  -25.5705
            5   C5x C    30.2236  -22.7943
            6   C8y C    27.7944  -22.7943
            7   C8y C    31.4034  -24.8765
            8   O5x O    30.2236  -26.9586
            9   C8y C    26.6145  -24.8765
            10  C8y C    31.4034  -23.4884
            11  O5x O    30.2236  -21.4063
            12  C8x C    26.6145  -23.4884
            13  O2a O    27.7944  -21.4063
            14  C8x C    32.5833  -25.5705
            15  O2a O    25.4347  -25.5705
            16  C8y C    32.6527  -22.8637
            17  C8y C    33.8326  -24.9459
            18  C1y C    24.1854  -24.8765
            19  C8x C    33.8326  -23.5578
            20  O1a O    32.6527  -21.4757
            21  C1a C    35.0124  -25.6399
            22  C1y C    23.0055  -25.5705
            23  O2x O    24.1854  -23.4884
            24  C1y C    21.8257  -24.8765
            25  O1a O    23.0055  -26.9586
            26  C1y C    23.0055  -22.7943
            27  C1y C    21.8257  -23.4884
            28  O1a O    20.5764  -25.5705
            29  C1a C    23.0055  -21.4063
            30  O1a O    20.5764  -22.7943
            31  C1y C    26.6145  -19.8100
            32  O2x O    26.6145  -18.4219
            33  C1y C    25.4347  -17.7278
            34  C1y C    24.1854  -18.4219
            35  C1y C    24.1854  -19.8100
            36  C1y C    25.4347  -20.5040
            37  O1a O    23.0055  -20.5040
            38  C1b C    25.4347  -16.3398
            39  O1a O    23.0055  -17.7278
            40  O1a O    25.4347  -21.8921
            41  O1a O    26.6145  -15.6457
BOND        45
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    6  13 1
            13    7  14 1
            14    9  15 1
            15   10  16 1
            16   14  17 2
            17   18  15 1 #Up
            18   16  19 2
            19   16  20 1
            20   17  21 1
            21   18  22 1
            22   18  23 1
            23   22  24 1
            24   22  25 1 #Down
            25   23  26 1
            26   24  27 1
            27   24  28 1 #Down
            28   26  29 1 #Down
            29   27  30 1 #Up
            30    7  10 2
            31    9  12 1
            32   17  19 1
            33   26  27 1
            34   31  13 1 #Up
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   31  36 1
            41   35  37 1 #Up
            42   33  38 1 #Up
            43   34  39 1 #Down
            44   36  40 1 #Down
            45   38  41 1

» Japanese version

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Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (3)   

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