Mrv1652306231722402D          

 18 19  0  0  0  0            999 V2000
    5.8855    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2980    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    3.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7270    3.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4414    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1559    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8704    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5849    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2993    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0138    3.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7283    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4427    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1572    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8717    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5862    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4112    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9987    2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
> <DATABASE_ID>
DB13339

> <DATABASE_NAME>
drugbank

> <SMILES>
C(COCCOCC1CO1)OCCOCC1CO1

> <INCHI_IDENTIFIER>
InChI=1S/C12H22O6/c1(13-3-5-15-7-11-9-17-11)2-14-4-6-16-8-12-10-18-12/h11-12H,1-10H2

> <INCHI_KEY>
UMILHIMHKXVDGH-UHFFFAOYSA-N

> <FORMULA>
C12H22O6

> <MOLECULAR_WEIGHT>
262.302

> <EXACT_MASS>
262.141638428

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
29.34837985564167

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[12-(oxiran-2-yl)-2,5,8,11-tetraoxadodecan-1-yl]oxirane

> <ALOGPS_LOGP>
-0.38

> <JCHEM_LOGP>
-0.33384385333333344

> <ALOGPS_LOGS>
-1.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3907152279774224

> <JCHEM_POLAR_SURFACE_AREA>
58.68000000000001

> <JCHEM_REFRACTIVITY>
63.63240000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.79e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
etoglucid

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB13339

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Etoglucid

> <SYNONYMS>
Etoglucid

$$$$