69331613
  -OEChem-04192415332D

 51 52  0     1  0  0  0  0  0999 V2000
    4.2690    1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.4050    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
    5.1350    3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010   -0.9050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -0.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010    1.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010   -1.9050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671   -2.4050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010    2.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7331   -1.9050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350    2.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690    2.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331   -0.9050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030    2.5950    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
    5.6720    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -1.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    3.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    3.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360   -2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1551   -4.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7751   -3.3681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 22  1  0  0  0  0
  2 14  1  0  0  0  0
  2 23  1  0  0  0  0
  3 15  1  0  0  0  0
  3 40  1  0  0  0  0
 16  4  1  1  0  0  0
  4 42  1  0  0  0  0
 17  5  1  1  0  0  0
  5 43  1  0  0  0  0
 18  6  1  1  0  0  0
  6 44  1  0  0  0  0
 19  7  1  6  0  0  0
  7 45  1  0  0  0  0
 21  8  1  6  0  0  0
  8 46  1  0  0  0  0
 23  9  1  6  0  0  0
  9 47  1  0  0  0  0
 10 24  1  0  0  0  0
 10 48  1  0  0  0  0
 11 25  2  0  0  0  0
 20 12  1  1  0  0  0
 12 25  1  0  0  0  0
 12 41  1  0  0  0  0
 13 15  1  6  0  0  0
 13 16  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  1  0  0  0
 14 17  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 19  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  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 21  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 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 24  1  6  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 26  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69331613

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
494

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
9

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByPAAAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAHgAQCAAACDzxgAcCCALABgAIAAEQEAAAAAAAAAAAAIAIAAATEAIAgAAHQAAHFgCXAAHw8K8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H25NO11/c1-3(17)15-5-7(19)9(21)13(26-14(5)24)11(23)12-10(22)8(20)6(18)4(2-16)25-12/h4-14,16,18-24H,2H2,1H3,(H,15,17)/t4-,5+,6+,7-,8+,9-,10-,11?,12-,13+,14+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
DYCVVJXIJPXYEP-YMJIXJLDSA-N

> <PUBCHEM_XLOGP3_AA>
-4.8

> <PUBCHEM_EXACT_MASS>
383.14276061

> <PUBCHEM_MOLECULAR_FORMULA>
C14H25NO11

> <PUBCHEM_MOLECULAR_WEIGHT>
383.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1C(C(C(OC1O)C(C2C(C(C(C(O2)CO)O)O)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)N[C@H]1[C@H]([C@H]([C@H](O[C@@H]1O)C([C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
209

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
383.14276061

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
10

> <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>
20  12  5
13  15  6
14  15  5
22  24  6
15  3  3
16  4  5
17  5  5
18  6  5
19  7  6
21  8  6
23  9  6

$$$$