Mrv0541 05061310422D          

 28 30  0  0  0  0            999 V2000
    5.8639    6.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0072    7.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5100    7.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4769    6.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7918    7.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7254    7.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3054    7.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4593    7.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4704    8.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1267    7.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5208    7.9948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6454    8.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8718    6.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9077    7.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3905    7.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2616    6.6779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9185    8.2918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4593    8.7526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9554    8.8526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9113    7.6977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3493    8.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1605    8.8526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3567    5.9907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792    6.6357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1231    7.6977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6059    7.1456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0468    6.6581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0579    6.9156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  1  0  0  0  0
 16  4  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  1  0  0  0  0
 20 10  1  0  0  0  0
 21 11  1  0  0  0  0
 22 12  1  0  0  0  0
 23 13  1  0  0  0  0
 24  1  1  0  0  0  0
 24 14  1  0  0  0  0
 25  3  1  0  0  0  0
 25 14  1  0  0  0  0
 26  2  1  0  0  0  0
 26 15  1  0  0  0  0
 27  5  1  0  0  0  0
 27 13  1  0  0  0  0
 28  6  1  0  0  0  0
 28 15  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM032202

> <DATABASE_NAME>
chemdb

> <SMILES>
OC1OC(COC2OC(COC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C15H26O13/c16-4-1-24-14(11(21)7(4)17)25-3-6-9(19)12(22)15(28-6)26-2-5-8(18)10(20)13(23)27-5/h4-23H,1-3H2

> <INCHI_KEY>
ILEPOIYJHJQWCK-UHFFFAOYSA-N

> <FORMULA>
C15H26O13

> <MOLECULAR_WEIGHT>
414.3591

> <EXACT_MASS>
414.137340918

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
38.91682818622674

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-({3,4-dihydroxy-5-[(3,4,5-trihydroxyoxolan-2-yl)methoxy]oxolan-2-yl}methoxy)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-2.72

> <JCHEM_LOGP>
-4.583205683333333

> <ALOGPS_LOGS>
0.03

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.978733703031981

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.219204033771224

> <JCHEM_PKA_STRONGEST_BASIC>
-3.526580404084756

> <JCHEM_POLAR_SURFACE_AREA>
207.98999999999995

> <JCHEM_REFRACTIVITY>
82.86250000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.44e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-({3,4-dihydroxy-5-[(3,4,5-trihydroxyoxolan-2-yl)methoxy]oxolan-2-yl}methoxy)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

> <NAME>
beta-D-Xylopyranosyl-(1->5)-alpha-L-arabinofuranosyl-(1->5)-L-arabinose

> <CAS>
79403-08-0

$$$$