25246105
  -OEChem-06201308122D

 48 49  0     1  0  0  0  0  0999 V2000
    2.8660   -0.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3660    0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1962   -2.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301   -2.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0622    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9282    1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4641   -2.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9282    2.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0622    2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1962    2.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  2  0  0  0  0
 16  2  1  6  0  0  0
 19  2  1  1  0  0  0
  3 16  1  0  0  0  0
  3 23  1  0  0  0  0
  4 19  1  0  0  0  0
  4 25  1  0  0  0  0
 17  5  1  6  0  0  0
  5 42  1  0  0  0  0
 18  6  1  1  0  0  0
  6 43  1  0  0  0  0
 20  7  1  1  0  0  0
  7 44  1  0  0  0  0
 21  8  1  6  0  0  0
  8 45  1  0  0  0  0
 22  9  1  6  0  0  0
  9 46  1  0  0  0  0
 24 10  1  1  0  0  0
 10 47  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 48  1  0  0  0  0
 16 17  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 21  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 22  1  0  0  0  0
 20 32  1  0  0  0  0
 21 23  1  0  0  0  0
 21 33  1  0  0  0  0
 22 24  1  0  0  0  0
 22 34  1  0  0  0  0
 23 26  1  1  0  0  0
 23 35  1  0  0  0  0
 24 25  1  0  0  0  0
 24 36  1  0  0  0  0
 25 27  1  6  0  0  0
 25 37  1  0  0  0  0
 26 38  1  0  0  0  0
 26 39  1  0  0  0  0
 27 40  1  0  0  0  0
 27 41  1  0  0  0  0
M  CHG  2  13  -1  14  -1
M  END
> <PUBCHEM_COMPOUND_CID>
25246105

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
517

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
14

> <PUBCHEM_CACTVS_HBOND_DONOR>
7

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwPAIAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAGgAACCAACBSwgAMACAAABxAAQAAAAIAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/p-2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
LABSPYBHMPDTEL-LIZSDCNHSA-L

> <PUBCHEM_XLOGP3_AA>
-6

> <PUBCHEM_EXACT_MASS>
420.066892

> <PUBCHEM_MOLECULAR_FORMULA>
C12H21O14P-2

> <PUBCHEM_MOLECULAR_WEIGHT>
420.260502

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C1C(C(C(C(O1)OC2C(C(C(C(O2)COP(=O)([O-])[O-])O)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]([C@H](O2)COP(=O)([O-])[O-])O)O)O)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
242

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
420.066892

> <PUBCHEM_TOTAL_CHARGE>
-2

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
10

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
24  10  5
16  2  6
19  2  5
23  26  5
25  27  6
17  5  6
18  6  5
20  7  5
21  8  6
22  9  6

$$$$