KEGG   DRUG: Besigomsin
Entry
D01752                      Drug                                   
Name
Besigomsin (JAN/INN)
Formula
C23H28O7
Exact mass
416.1835
Mol weight
416.46
Structure
Simcomp
Efficacy
Hepatoprotectant
Other DBs
CAS: 58546-54-6
PubChem: 7848815
ChEBI: 31272
LigandBox: D01752
NIKKAJI: J264.569F
LinkDB
KCF data

ATOM        30
            1   C8y C    20.0011  -16.9718
            2   C8y C    21.2053  -16.2741
            3   C8y C    21.2053  -14.8787
            4   C8x C    20.0011  -14.1810
            5   C1x C    24.5881  -16.2801
            6   C1z C    24.5881  -14.8745
            7   C1y C    23.6024  -13.8830
            8   C1x C    22.1968  -13.8830
            9   C8y C    23.6051  -17.2709
            10  C8y C    22.1968  -17.2715
            11  C8y C    21.4934  -18.4915
            12  C8y C    22.1982  -19.7107
            13  C8y C    23.6064  -19.7099
            14  C8x C    24.3099  -18.4900
            15  O2a O    20.0028  -18.3672
            16  C1a C    18.7953  -19.0665
            17  O2a O    21.5012  -20.9195
            18  O2a O    24.3048  -20.9180
            19  C1a C    23.6080  -22.1269
            20  C1a C    22.1997  -22.1277
            21  C8y C    18.7897  -16.2741
            22  C8y C    18.7904  -14.8704
            23  O2x O    17.4553  -14.4359
            24  C1x C    16.6299  -15.5714
            25  O2x O    17.4543  -16.7075
            26  C1a C    24.1382  -12.5947
            27  C1a C    24.9406  -13.5199
            28  O1a O    25.7863  -15.5707
            29  O2a O    20.7827  -19.6935
            30  C1a C    19.3873  -20.2465
BOND        33
            1    13  14 2
            2    14   9 1
            3     6   7 1
            4     1  15 1
            5    10   2 1
            6    15  16 1
            7     7   8 1
            8    12  17 1
            9     8   3 1
            10   13  18 1
            11    5   9 1
            12   18  19 1
            13    5   6 1
            14   17  20 1
            15    3   4 2
            16    4  22 1
            17   21   1 1
            18    1   2 2
            19   21  22 2
            20   22  23 1
            21   23  24 1
            22   24  25 1
            23   25  21 1
            24    2   3 1
            25    7  26 1 #Up
            26    9  10 2
            27    6  27 1 #Up
            28   10  11 1
            29    6  28 1 #Down
            30   11  12 2
            31   11  29 1
            32   12  13 1
            33   29  30 1

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