70171738
  -OEChem-05042421212D

 60 60  0     1  0  0  0  0  0999 V2000
    4.2690   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -4.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -3.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -2.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -2.5950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5369   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -1.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -2.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -0.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905   -1.2027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791   -1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4776   -0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6550    0.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565    0.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9451    0.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3437    1.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5210    2.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1225    1.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8112    1.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2097    2.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871    3.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885    3.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6772    3.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0757    4.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4231   -4.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0431   -3.5581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2531    5.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8546    4.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6412    4.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0212    5.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  9  3  1  1  0  0  0
  3 36  1  0  0  0  0
 10  4  1  6  0  0  0
  4 39  1  0  0  0  0
  5 13  1  0  0  0  0
  5 50  1  0  0  0  0
  6 19  2  0  0  0  0
  8  7  1  6  0  0  0
  7 19  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  1  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 20  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 24  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 23 53  1  0  0  0  0
 23 54  1  0  0  0  0
 23 55  1  0  0  0  0
 24 25  1  0  0  0  0
 24 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 25 60  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70171738

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
368

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6OAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAHgAQCAAACDzxgAcCCALABgAIAAEQEAAAAAAAAAAAAIAIAAATEAIAgAAnQAAHFgCXAAHw8K8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(3R,4R,5S,6R)-2-decoxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(3R,4R,5S,6R)-2-decoxy-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(3<I>R</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-2-decoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-[(3R,4R,5S,6R)-2-decoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(3R,4R,5S,6R)-2-decoxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(3R,4R,5S,6R)-2-decoxy-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H35NO6/c1-3-4-5-6-7-8-9-10-11-24-18-15(19-13(2)21)17(23)16(22)14(12-20)25-18/h14-18,20,22-23H,3-12H2,1-2H3,(H,19,21)/t14-,15-,16-,17-,18?/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
SVEBILVFMHQNKO-XNIMBYMISA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
361.24643784

> <PUBCHEM_MOLECULAR_FORMULA>
C18H35NO6

> <PUBCHEM_MOLECULAR_WEIGHT>
361.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCCCOC1C(C(C(C(O1)CO)O)O)NC(=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCCCOC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C

> <PUBCHEM_CACTVS_TPSA>
108

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
361.24643784

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <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>
11  13  5
12  2  3
9  3  5
10  4  6
8  7  6

$$$$