71298077
  -OEChem-05042402232D

 51 52  0     1  0  0  0  0  0999 V2000
    6.3733   -1.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4028    0.1538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    0.6593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054   -2.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3858   -2.2256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9301   -0.6088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8374    0.6593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6056    2.0843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3733    1.6593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166    2.2934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7034    0.1593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8374   -1.3407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2393   -0.8407    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1054   -1.3407    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5073   -0.8407    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5937   -1.2474    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4246    0.3617    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9246   -0.5043    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2393    0.1593    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9714   -0.8407    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9714    0.1593    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0179    1.2753    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3733    0.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0233    1.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7034   -0.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5695   -1.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2393   -1.4607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6423   -1.6507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4748   -1.4599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0756   -1.6376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9595    1.0223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7024   -1.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2393    0.7793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5083   -0.5307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9714    0.7793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6345    1.2105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7627    0.7670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1612    0.0767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8374   -1.9607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5684   -2.6507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4218    1.2298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0666    0.7613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7962   -2.4172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6779   -1.1752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8374    1.2793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3535    2.6507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8364    1.9693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.3582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2595   -1.8776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1064   -1.6507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8795   -0.8038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 13  1  1  6  0  0  0
 15  1  1  1  0  0  0
  2 15  1  0  0  0  0
  2 17  1  0  0  0  0
  3 19  1  0  0  0  0
  3 21  1  0  0  0  0
 14  4  1  1  0  0  0
  4 40  1  0  0  0  0
 16  5  1  6  0  0  0
  5 43  1  0  0  0  0
 18  6  1  1  0  0  0
  6 44  1  0  0  0  0
  7 21  1  0  0  0  0
  7 45  1  0  0  0  0
 22  8  1  1  0  0  0
  8 46  1  0  0  0  0
  9 23  1  0  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  6  0  0  0
 12 25  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 13 27  1  0  0  0  0
 14 20  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 18  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 17 31  1  1  0  0  0
 18 32  1  0  0  0  0
 19 23  1  1  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 24  1  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  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>
71298077

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
480

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
8

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByPAAAAAAAAAAAAAAAAAAAASAAAAAkAAAAAAAAAAAAAAAAHgAQCAAACDzxgAcCCALABgAIAAEQEAAAAAAAAAAAAIAIAAATEAIAgAAnQAAHFgCXAAHwcA8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(3R,4R,5S,6R)-5-[[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2-oxolanyl]oxy]-2,4-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>)-5-[(2<I>S</I>,3<I>R</I>,4<I>R</I>,5<I>S</I>)-5-[(1<I>R</I>)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S)-5-[(1R)-1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-2,4-bis(oxidanyl)oxan-3-yl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]oxy-2,4-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H25NO11/c1-4(18)15-7-8(20)12(6(3-17)24-13(7)23)26-14-10(22)9(21)11(25-14)5(19)2-16/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8-,9-,10-,11+,12-,13?,14+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
XDJSTHFKZUCWKK-NHXXARJZSA-N

> <PUBCHEM_XLOGP3_AA>
-4.7

> <PUBCHEM_EXACT_MASS>
383.14276061

> <PUBCHEM_MOLECULAR_FORMULA>
C14H25NO11

> <PUBCHEM_MOLECULAR_WEIGHT>
383.35

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C(O2)C(CO)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O[C@H]2[C@@H]([C@H]([C@@H](O2)[C@@H](CO)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
198

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
383.14276061

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
9

> <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>
13  1  6
15  1  5
20  12  6
17  31  5
19  23  5
14  4  5
16  5  6
18  6  5
21  7  3
22  8  5

$$$$