Mrv0541 02231220512D          

 17 17  0  0  1  0            999 V2000
   16.5093  -12.0136    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.5093  -12.8386    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.2242  -11.5737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7943  -11.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2242  -13.2235    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7943  -13.2235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9391  -12.0136    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.9391  -12.8386    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.2242  -14.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6541  -11.5737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6541  -13.2235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0794  -12.0136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5137  -11.5737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7988  -11.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0839  -11.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3690  -11.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0839  -12.3986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  1  0  0  0
  7 10  1  1  0  0  0
  8 11  1  6  0  0  0
  7  8  1  0  0  0  0
  4 12  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
 15 17  1  0  0  0  0
 16 10  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB024079

> <DATABASE_NAME>
foodb

> <SMILES>
OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4?,5-,6+,7+,8-,9-/m1/s1

> <INCHI_KEY>
NHJUPBDCSOGIKX-VGPGGAHRSA-N

> <FORMULA>
C9H18O8

> <MOLECULAR_WEIGHT>
254.2344

> <EXACT_MASS>
254.100167552

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
24.272739571479228

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4S,5R,6R)-2-(2,3-dihydroxypropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-2.80

> <JCHEM_LOGP>
-3.6098496683333328

> <ALOGPS_LOGS>
0.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.08057270985643

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.194840023983808

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9682677554533683

> <JCHEM_POLAR_SURFACE_AREA>
139.84

> <JCHEM_REFRACTIVITY>
52.929399999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.60e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
galactosylglycerol

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB024079

> <GENERIC_NAME>
Galactosylglycerol

$$$$