KEGG   COMPOUND: C17476Help
Entry
C17476                      Compound                               

Name
Osthenol-7-O-beta-D-gentiobioside
Formula
C26H34O13
Exact mass
554.1999
Mol weight
554.5404
Structure
Mol fileKCF fileDB search
Other DBs
PubChem: 96023824
ChEBI: 81118
NIKKAJI: J1.268.347B
KCF data Show

ATOM        39
            1   O2a O    33.0400  -22.8900
            2   C1y C    31.8500  -23.5900
            3   O2x O    30.5900  -22.8900
            4   C1y C    31.8500  -24.9900
            5   C1y C    29.4000  -23.5900
            6   C1y C    30.5900  -25.6900
            7   O1a O    33.0400  -25.6900
            8   C1y C    29.4000  -24.9900
            9   C1b C    28.2100  -22.8900
            10  O1a O    30.5900  -27.0900
            11  O1a O    28.2100  -25.6900
            12  O2a O    27.0900  -23.7300
            13  C8y C    36.6800  -23.5900
            14  C8y C    36.6800  -24.9900
            15  O7x O    37.9400  -22.8200
            16  C8y C    35.4900  -22.8200
            17  C8x C    37.9400  -25.6900
            18  C8x C    35.4900  -25.6900
            19  C8y C    39.1300  -23.5200
            20  C8y C    34.2300  -23.5900
            21  C8x C    39.1300  -24.9900
            22  C8x C    34.2300  -24.9900
            23  O6a O    40.3453  -22.8249
            24  C1b C    35.5080  -21.4201
            25  C2b C    34.2914  -20.6966
            26  C2c C    34.2914  -19.2966
            27  C1a C    35.5000  -18.5989
            28  C1a C    33.0955  -18.6064
            29  C1y C    25.7376  -24.6400
            30  O2x O    24.5421  -23.9496
            31  C1y C    23.3296  -24.6495
            32  C1y C    23.3294  -26.0495
            33  C1y C    24.5249  -26.7399
            34  C1y C    25.7374  -26.0400
            35  C1b C    22.0984  -23.9385
            36  O1a O    24.5247  -28.1398
            37  O1a O    22.1066  -26.7554
            38  O1a O    26.9666  -26.7500
            39  O1a O    20.9015  -24.6295
BOND        42
            1     5   8 1
            2     5   9 1 #Up
            3     6  10 1 #Up
            4     8  11 1 #Down
            5     6   8 1
            6     9  12 1
            7     2   1 1 #Up
            8     2   3 1
            9     2   4 1
            10    3   5 1
            11    4   6 1
            12    4   7 1 #Down
            13   13  14 1
            14   13  15 1
            15   13  16 2
            16   14  17 1
            17   14  18 2
            18   15  19 1
            19   16  20 1
            20   17  21 2
            21   18  22 1
            22   19  21 1
            23   20  22 2
            24   20   1 1
            25   19  23 2
            26   16  24 1
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   26  28 1
            31   29  12 1 #Up
            32   29  30 1
            33   30  31 1
            34   31  32 1
            35   32  33 1
            36   33  34 1
            37   29  34 1
            38   31  35 1 #Up
            39   33  36 1 #Up
            40   32  37 1 #Down
            41   34  38 1 #Down
            42   35  39 1

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