70252502
  -OEChem-04262409412D

 52 52  0     1  0  0  0  0  0999 V2000
    4.2690   -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
    6.0010   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4050    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
    6.0010    3.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -1.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -2.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -2.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -1.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0010    0.4050    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
    5.1350    0.9050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671    1.9050    0.0000 C   0  0  2  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    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8469   -0.0581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2269   -1.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    1.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    2.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905    2.5127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890    1.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9091    3.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2891    4.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
 13  2  1  6  0  0  0
 17  2  1  1  0  0  0
 12  3  1  1  0  0  0
  3 42  1  0  0  0  0
 14  4  1  6  0  0  0
  4 43  1  0  0  0  0
 15  5  1  6  0  0  0
  5 44  1  0  0  0  0
 18  6  1  1  0  0  0
  6 46  1  0  0  0  0
 19  7  1  6  0  0  0
  7 47  1  0  0  0  0
  8 22  1  0  0  0  0
  8 48  1  0  0  0  0
  9 23  1  0  0  0  0
  9 49  1  0  0  0  0
 10 24  2  0  0  0  0
 20 11  1  6  0  0  0
 11 24  1  0  0  0  0
 11 45  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 21  1  6  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  1  0  0  0  0
 18 32  1  0  0  0  0
 19 22  1  0  0  0  0
 19 33  1  0  0  0  0
 20 23  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 25 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70252502

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
424

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
8

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByPAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAHgAQCAAACDzxgAcCCALABgAIAAEQEAAAAAAAAAAAAIAIAAATEAIAgAAmQAAHFgCXAAHwcA8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(1S,2R,3R,4R)-2,4,5-trihydroxy-1-(hydroxymethyl)-3-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-pentyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(2S,3R,4R,5R)-1,3,5,6-tetrahydroxy-4-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]hexan-2-yl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(2<I>S</I>,3<I>R</I>,4<I>R</I>,5<I>R</I>)-1,3,5,6-tetrahydroxy-4-[(2<I>R</I>,3<I>S</I>,4<I>R</I>,5<I>S</I>,6<I>S</I>)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-2-yl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-[(2S,3R,4R,5R)-1,3,5,6-tetrahydroxy-4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-2-yl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(2S,3R,4R,5R)-4-[(2R,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,3,5,6-tetrakis(oxidanyl)hexan-2-yl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(1S,2R,3R,4R)-2,4,5-trihydroxy-1-methylol-3-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-pentyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H27NO10/c1-5-9(20)11(22)12(23)14(24-5)25-13(8(19)4-17)10(21)7(3-16)15-6(2)18/h5,7-14,16-17,19-23H,3-4H2,1-2H3,(H,15,18)/t5-,7-,8+,9+,10+,11+,12-,13-,14+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
FZJMAUPLFWFCAF-OYUPQDBTSA-N

> <PUBCHEM_XLOGP3_AA>
-4.7

> <PUBCHEM_EXACT_MASS>
369.16349606

> <PUBCHEM_MOLECULAR_FORMULA>
C14H27NO10

> <PUBCHEM_MOLECULAR_WEIGHT>
369.36

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C(C(C(C(O1)OC(C(CO)O)C(C(CO)NC(=O)C)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O[C@@H]([C@@H](CO)O)[C@@H]([C@H](CO)NC(=O)C)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
189

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
369.16349606

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
9

> <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>
20  11  6
16  21  6
13  2  6
17  2  5
12  3  5
14  4  6
15  5  6
18  6  5
19  7  6

$$$$