6850753
 OpenBabel05082101102D

 60 61  0  0  1  0  0  0  0  0999 V2000
    6.0010   -1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.8100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7331   -1.3100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8671    0.1900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5991   -0.8100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1350   -0.8100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690   -1.3100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030   -0.8100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030    0.1900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2690    0.6900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5991    0.1900    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    2.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    1.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2891   -3.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9091   -2.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6412   -1.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0212   -0.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1569    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9169    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0851    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8451    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771    1.6531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5571    2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 16  1  0  0  0  0
  2 14  1  0  0  0  0
  2 21  1  0  0  0  0
  3 16  1  0  0  0  0
  3 20  1  0  0  0  0
  4 13  1  0  0  0  0
  4 24  1  0  0  0  0
  5 15  1  0  0  0  0
  5 25  1  0  0  0  0
  6 19  1  0  0  0  0
  6 26  1  0  0  0  0
  7 17  1  0  0  0  0
  7 43  1  0  0  0  0
  8 21  1  0  0  0  0
  8 27  1  0  0  0  0
  9 18  1  0  0  0  0
  9 44  1  0  0  0  0
 10 22  1  0  0  0  0
 10 28  1  0  0  0  0
 11 23  1  0  0  0  0
 11 57  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 14 22  1  0  0  0  0
 14 31  1  0  0  0  0
 15 21  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 23  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
 28 58  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
6850753

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
453

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

>  <PUBCHEM_CACTVS_HBOND_DONOR>
3

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4PAAAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAGgAACAAACBSwgAMCCAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
6-(hydroxymethyl)-5-methoxy-2-[4,5,6-trimethoxy-2-(methoxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4-diol

>  <PUBCHEM_IUPAC_CAS_NAME>
6-(hydroxymethyl)-5-methoxy-2-[[4,5,6-trimethoxy-2-(methoxymethyl)-3-oxanyl]oxy]oxane-3,4-diol

>  <PUBCHEM_IUPAC_NAME_MARKUP>
6-(hydroxymethyl)-5-methoxy-2-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane-3,4-diol

>  <PUBCHEM_IUPAC_NAME>
6-(hydroxymethyl)-5-methoxy-2-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxyoxane-3,4-diol

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-(hydroxymethyl)-5-methoxy-2-[4,5,6-trimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-oxane-3,4-diol

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-methoxy-6-methylol-2-[4,5,6-trimethoxy-2-(methoxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4-diol

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H32O11/c1-21-7-9-13(14(23-3)15(24-4)17(25-5)27-9)28-16-11(20)10(19)12(22-2)8(6-18)26-16/h8-20H,6-7H2,1-5H3

>  <PUBCHEM_IUPAC_INCHIKEY>
WHJKCPTVEYZNOG-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
-2.6

>  <PUBCHEM_EXACT_MASS>
412.194462

>  <PUBCHEM_MOLECULAR_FORMULA>
C17H32O11

>  <PUBCHEM_MOLECULAR_WEIGHT>
412.4

>  <PUBCHEM_OPENEYE_CAN_SMILES>
COCC1C(C(C(C(O1)OC)OC)OC)OC2C(C(C(C(O2)CO)OC)O)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
COCC1C(C(C(C(O1)OC)OC)OC)OC2C(C(C(C(O2)CO)OC)O)O

>  <PUBCHEM_CACTVS_TPSA>
135

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
412.194462

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
28

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
10

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

$$$$
