Mrv0541 02011302192D          

 19 20  0  0  0  0            999 V2000
    1.3750    6.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6605    5.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6605    5.0875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3750    4.6750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0895    5.0875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0895    5.9125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8039    4.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3750    3.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0539    4.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540    7.7539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0415    8.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2164    8.4684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8039    7.7539    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2164    7.0395    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0415    7.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4539    6.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8039    6.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9789    7.7539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8039    9.1829    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6 17  1  1  0  0  0
  5  7  1  6  0  0  0
  4  8  1  1  0  0  0
  3  9  1  6  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
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  6  0  0  0
 13 18  1  1  0  0  0
 12 19  1  1  0  0  0
M  END
> <DATABASE_ID>
CHEM032226

> <DATABASE_NAME>
chemdb

> <SMILES>
O[C@@H]1CO[C@@H](O[C@H]2C(O)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C10H18O9/c11-3-2-18-10(7(15)5(3)13)19-8-6(14)4(12)1-17-9(8)16/h3-16H,1-2H2/t3-,4+,5+,6+,7-,8-,9?,10+/m1/s1

> <INCHI_KEY>
HBIRURHHLFDSPS-BIDIDBDVSA-N

> <FORMULA>
C10H18O9

> <MOLECULAR_WEIGHT>
282.2445

> <EXACT_MASS>
282.095082174

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
25.465907037720257

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,5R)-2-{[(3R,4S,5S)-2,4,5-trihydroxyoxan-3-yl]oxy}oxane-3,4,5-triol

> <ALOGPS_LOGP>
-3.05

> <JCHEM_LOGP>
-3.442704979666666

> <ALOGPS_LOGS>
0.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.208957368185208

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.283360136097716

> <JCHEM_PKA_STRONGEST_BASIC>
-3.526580682612133

> <JCHEM_POLAR_SURFACE_AREA>
149.07

> <JCHEM_REFRACTIVITY>
56.411699999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.13e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,5R)-2-{[(3R,4S,5S)-2,4,5-trihydroxyoxan-3-yl]oxy}oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

> <NAME>
2-O-b-D-Xylopyranosyl-L-arabinose

$$$$