KEGG   DRUG: SitoglusideHelp
Entry
D05848                      Drug                                   

Name
Sitogluside (USAN/INN);
Eleutheroside A;
beta-Sitosterol glucoside;
Daucosterol
Formula
C35H60O6
Exact mass
576.439
Mol weight
576.8473
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C20785
Efficacy
Prostatic hyperplasia treatment
Other DBs
CAS: 474-58-8
PubChem: 47207509
ChEBI: 67554
ChEMBL: CHEMBL506678
LigandBox: D05848
NIKKAJI: J5.961G
LinkDB All DBs
KCF data Show

ATOM        41
            1   C1y C    21.1408  -21.2210
            2   O2x O    21.1468  -19.8284
            3   C1y C    19.9319  -19.1200
            4   C1y C    18.7109  -19.8179
            5   C1y C    18.7049  -21.2105
            6   C1y C    19.9198  -21.9189
            7   C1y C    29.3817  -19.2000
            8   C1y C    28.2073  -19.8778
            9   C1z C    29.3817  -17.8446
            10  C1x C    31.7302  -19.2000
            11  C1y C    27.0389  -19.2000
            12  C1x C    28.2014  -21.2332
            13  C1y C    30.5676  -17.1669
            14  C1x C    28.2073  -17.1669
            15  C1a C    29.3756  -16.4892
            16  C1x C    31.7302  -17.8446
            17  C1z C    25.8529  -19.8778
            18  C1x C    27.0389  -17.8446
            19  C2x C    27.0389  -21.9110
            20  C1c C    30.5676  -15.8116
            21  C2y C    25.8529  -21.2332
            22  C1x C    24.6845  -19.2000
            23  C1a C    25.8411  -18.5223
            24  C1b C    31.7653  -15.1220
            25  C1a C    29.3640  -15.1164
            26  C1x C    24.6845  -21.9110
            27  C1x C    23.5101  -19.8778
            28  C1b C    32.9630  -15.8172
            29  C1y C    23.5101  -21.2332
            30  C1c C    34.1607  -15.1220
            31  O2a O    22.3241  -21.9110
            32  C1c C    35.3641  -15.8172
            33  C1a C    36.5618  -15.1279
            34  C1a C    35.3583  -17.4820
            35  C1b C    34.1592  -13.7108
            36  C1a C    35.3801  -13.0042
            37  C1b C    19.9380  -17.7191
            38  O1a O    17.4653  -21.9188
            39  O1a O    17.4883  -19.1048
            40  O1a O    19.9140  -23.3441
            41  O1a O    18.7395  -17.0199
BOND        45
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     7   8 1
            8     7   9 1
            9     7  10 1
            10    8  11 1
            11    8  12 1
            12    9  13 1
            13    9  14 1
            14    9  15 1 #Up
            15   10  16 1
            16   11  17 1
            17   11  18 1
            18   12  19 1
            19   13  20 1
            20   17  21 1
            21   17  22 1
            22   17  23 1 #Up
            23   20  24 1
            24   20  25 1 #Down
            25   21  26 1
            26   22  27 1
            27   24  28 1
            28   26  29 1
            29   28  30 1
            30   29  31 1 #Up
            31   30  32 1
            32   32  33 1
            33   32  34 1
            34   13  16 1
            35   14  18 1
            36   19  21 2
            37   27  29 1
            38   30  35 1 #Up
            39   35  36 1
            40    1  31 1 #Up
            41    3  37 1 #Up
            42    5  38 1 #Up
            43    4  39 1 #Down
            44    6  40 1 #Down
            45   37  41 1

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