KEGG   COMPOUND: C10382
Entry
C10382                      Compound                               
Name
Physcion 8-gentiobioside;
Physcion diglucoside;
Physcion 8-O-beta-D-gentiobioside
Formula
C28H32O15
Exact mass
608.1741
Mol weight
608.5447
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1304 Anthracenes and phenanthrenes
    C10382  Physcion 8-gentiobioside
Phytochemical compounds [BR:br08003]
 Polyketides
  Anthraquinones
   Anthraquinone type
    C10382  Physcion 8-gentiobioside
Glycosides [BR:br08021]
 O-glycosides
  Anthraquinone glycosides
   C10382  Physcion 8-gentiobioside
Other DBs
CAS: 84268-38-2
PubChem: 12568
ChEBI: 27598
LIPIDMAPS: LMPK13040012
KNApSAcK: C00002849
3DMET: B03795
NIKKAJI: J269.604E
LinkDB
KCF data

ATOM        43
            1   C8y C    26.8053  -36.8909
            2   C8y C    26.7993  -38.2886
            3   C8y C    25.5939  -36.1921
            4   C5x C    28.0222  -36.1978
            5   C5x C    28.0107  -38.9989
            6   C8x C    25.5939  -38.9932
            7   O2a O    25.6055  -34.7944
            8   C8x C    24.3826  -36.8909
            9   C8y C    29.2336  -36.9026
            10  O5x O    28.0281  -34.8001
            11  C8y C    29.2861  -38.2943
            12  O5x O    28.0048  -40.3966
            13  C8y C    24.3826  -38.2886
            14  C1y C    24.3826  -34.0839
            15  C8y C    30.4448  -36.2154
            16  C8x C    30.4215  -39.0105
            17  O2a O    23.1713  -38.9932
            18  O2x O    24.3767  -32.6805
            19  C1y C    23.1772  -34.7944
            20  C8x C    31.6503  -36.9200
            21  O1a O    30.4624  -34.8177
            22  C8y C    31.6387  -38.3176
            23  C1a C    21.9600  -38.2886
            24  C1y C    23.1596  -31.9933
            25  C1y C    21.9600  -34.0956
            26  O1a O    23.1829  -36.1921
            27  C1a C    32.8441  -39.0339
            28  C1b C    23.1539  -30.5897
            29  C1y C    21.9484  -32.6922
            30  O1a O    20.7486  -34.8061
            31  O2a O    21.9458  -29.8735
            32  O1a O    20.7312  -32.0750
            33  C1y C    20.8149  -29.1588
            34  O2x O    20.7588  -27.7574
            35  C1y C    19.5269  -29.8502
            36  C1y C    19.5543  -27.0476
            37  C1y C    18.3338  -29.1470
            38  O1a O    19.5129  -31.1816
            39  C1y C    18.3392  -27.7476
            40  C1b C    19.5597  -25.6481
            41  O1a O    17.0994  -29.8355
            42  O1a O    17.1234  -27.0309
            43  O1a O    18.3559  -24.9467
BOND        47
            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 1
            9     4  10 2
            10    5  11 1
            11    5  12 2
            12    6  13 2
            13   14   7 1 #Up
            14    9  15 1
            15   11  16 1
            16   13  17 1
            17   14  18 1
            18   14  19 1
            19   15  20 2
            20   15  21 1
            21   16  22 2
            22   17  23 1
            23   18  24 1
            24   19  25 1
            25   19  26 1 #Down
            26   22  27 1
            27   24  28 1 #Up
            28   24  29 1
            29   25  30 1 #Up
            30   28  31 1
            31   29  32 1 #Down
            32   33  31 1 #Up
            33   33  34 1
            34   33  35 1
            35   34  36 1
            36   35  37 1
            37   35  38 1 #Down
            38   36  39 1
            39   36  40 1 #Up
            40   37  41 1 #Up
            41   39  42 1 #Down
            42    8  13 1
            43    9  11 2
            44   20  22 1
            45   25  29 1
            46   37  39 1
            47   40  43 1

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