KEGG   DRUG: Desaspidin
Entry
D07365                      Drug                                   
Name
Desaspidin (INN)
Formula
C24H30O8
Exact mass
446.1941
Mol weight
446.4902
Structure
Simcomp
Remark
ATC code: P02DX01
Efficacy
Anthelmintic
Comment
See Aspidin [CPD:C10672]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P02 ANTHELMINTICS
   P02D ANTICESTODALS
    P02DX Other anticestodals
     P02DX01 Desaspidin
      D07365  Desaspidin (INN)
Antimicrobials [BR:br08307]
 Antiparasitics
  Anticestodal agents
   Others
    D07365  Desaspidin (INN)
Other DBs
CAS: 114-43-2
PubChem: 51091702
LigandBox: D07365
NIKKAJI: J10.099D
KCF data

ATOM        32
            1   C2y C    26.2500  -18.0600
            2   C2y C    26.2500  -19.3900
            3   C5x C    25.0600  -20.0900
            4   C2y C    23.8700  -19.3900
            5   C2y C    23.8700  -18.0600
            6   C1z C    25.0600  -17.3600
            7   C8y C    32.1300  -18.1300
            8   C8x C    32.1300  -19.4600
            9   C8y C    30.9400  -20.1600
            10  C8y C    29.8200  -19.4600
            11  C8y C    29.8200  -18.1300
            12  C8y C    30.9400  -17.4300
            13  C1b C    28.0000  -20.3700
            14  O2a O    30.9400  -21.4900
            15  O1a O    33.3200  -17.4300
            16  C5a C    30.9400  -16.1000
            17  O5a O    29.8200  -15.4000
            18  O5x O    25.0600  -21.4200
            19  O1a O    22.6800  -17.3600
            20  C1a C    26.0400  -16.4500
            21  C1a C    24.3600  -16.1700
            22  C5a C    22.6800  -20.0900
            23  C1b C    21.5600  -19.3900
            24  C1b C    20.3700  -20.0900
            25  C1a C    19.1800  -19.3900
            26  O5a O    22.6800  -21.4200
            27  C1b C    32.2000  -15.4000
            28  C1b C    33.3900  -16.1000
            29  C1a C    34.6500  -15.3300
            30  C1a C    32.1524  -22.1900
            31  O1a O    27.4653  -17.3649
            32  O1a O    28.5955  -17.4513
BOND        33
            1     4   5 2
            2    12  16 1
            3     5   6 1
            4     7   8 2
            5     8   9 1
            6    16  17 2
            7     9  10 2
            8    10  11 1
            9    11  12 2
            10   12   7 1
            11    3  18 2
            12    6   1 1
            13    5  19 1
            14   13  10 1
            15    6  20 1
            16    2  13 1
            17    6  21 1
            18    4  22 1
            19    9  14 1
            20   22  23 1
            21    1   2 2
            22   23  24 1
            23   24  25 1
            24    2   3 1
            25   22  26 2
            26   16  27 1
            27    7  15 1
            28   27  28 1
            29    3   4 1
            30   28  29 1
            31   14  30 1
            32    1  31 1
            33   11  32 1

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Ontology (2)   
   KEGG BRITE (2)   
Drug (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   NIKKAJI (1)   
All databases (5)   

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