11099946
  -OEChem-05072416122D

 45 46  0     1  0  0  0  0  0999 V2000
    6.0010   -1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.9050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -1.4050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8671   -0.9050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331   -1.4050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -0.9050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5991   -0.9050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5991    0.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331    0.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030    0.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350    0.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7331    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5210    2.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1225    1.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    0.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    0.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -1.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  1  0  0  0
 14  1  1  1  0  0  0
  2 14  1  0  0  0  0
  2 19  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
 13  4  1  1  0  0  0
  4 38  1  0  0  0  0
 15  5  1  6  0  0  0
  5 39  1  0  0  0  0
 16  6  1  6  0  0  0
  6 40  1  0  0  0  0
 17  7  1  6  0  0  0
  7 41  1  0  0  0  0
 18  8  1  1  0  0  0
  8 42  1  0  0  0  0
  9 21  1  0  0  0  0
  9 43  1  0  0  0  0
 10 22  1  0  0  0  0
 10 44  1  0  0  0  0
 11 23  1  0  0  0  0
 11 45  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 12 24  1  0  0  0  0
 13 16  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 20  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 22  1  6  0  0  0
 19 31  1  0  0  0  0
 20 23  1  1  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11099946

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
382

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
8

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwPAAAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2,4,5-triol

> <PUBCHEM_IUPAC_CAS_NAME>
(3S,4S,5S,6R)-6-(hydroxymethyl)-3-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]oxane-2,4,5-triol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>S</I>,4<I>S</I>,5<I>S</I>,6<I>R</I>)-6-(hydroxymethyl)-3-[(2<I>R</I>,3<I>S</I>,4<I>S</I>,5<I>S</I>,6<I>R</I>)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol

> <PUBCHEM_IUPAC_NAME>
(3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3S,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-2,4,5-triol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3S,4S,5S,6R)-6-methylol-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2,4,5-triol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10+,11?,12-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HIWPGCMGAMJNRG-VXSGSMIHSA-N

> <PUBCHEM_XLOGP3_AA>
-4.2

> <PUBCHEM_EXACT_MASS>
342.11621151

> <PUBCHEM_MOLECULAR_FORMULA>
C12H22O11

> <PUBCHEM_MOLECULAR_WEIGHT>
342.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C1C(C(C(C(O1)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@H]([C@@H]([C@H](OC2O)CO)O)O)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
190

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
342.11621151

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
9

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  1  5
14  1  5
19  22  6
20  23  5
13  4  5
15  5  6
16  6  6
17  7  6
18  8  5
21  9  3

$$$$