71298092
  -OEChem-05062403262D

 78 80  0     1  0  0  0  0  0999 V2000
    6.8671   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    4.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    1.9050    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
    9.4651    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    5.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    3.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7331   -0.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0010   -0.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331    0.4050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010    0.4050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010   -2.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0010   -3.5950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4651    2.4050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350   -4.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4651    3.4050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -3.5950    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
   10.3312    3.9050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5991    1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    3.4050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -4.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    4.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871    2.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885    1.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    3.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244    1.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230    0.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    3.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -4.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    5.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0212   -1.6319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6412   -0.5581    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
   13.2392    4.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4662    5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6192    5.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 19  1  1  1  0  0  0
 24  1  1  1  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
 22  3  1  1  0  0  0
  3 32  1  0  0  0  0
  4 24  1  0  0  0  0
  4 30  1  0  0  0  0
  5 26  1  0  0  0  0
  5 35  1  0  0  0  0
 21  6  1  6  0  0  0
  6 61  1  0  0  0  0
 25  7  1  6  0  0  0
  7 65  1  0  0  0  0
 27  8  1  1  0  0  0
  8 66  1  0  0  0  0
 28  9  1  6  0  0  0
  9 67  1  0  0  0  0
 29 10  1  1  0  0  0
 10 68  1  0  0  0  0
 31 11  1  6  0  0  0
 11 69  1  0  0  0  0
 12 34  1  0  0  0  0
 12 70  1  0  0  0  0
 13 35  1  0  0  0  0
 13 71  1  0  0  0  0
 14 36  1  0  0  0  0
 14 75  1  0  0  0  0
 15 37  2  0  0  0  0
 16 39  2  0  0  0  0
 20 17  1  6  0  0  0
 17 37  1  0  0  0  0
 17 57  1  0  0  0  0
 33 18  1  1  0  0  0
 18 39  1  0  0  0  0
 18 64  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 41  1  0  0  0  0
 20 22  1  0  0  0  0
 20 42  1  0  0  0  0
 21 23  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 34  1  1  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 25 27  1  0  0  0  0
 25 47  1  0  0  0  0
 26 28  1  0  0  0  0
 26 32  1  6  0  0  0
 26 48  1  0  0  0  0
 27 29  1  0  0  0  0
 27 49  1  0  0  0  0
 28 31  1  0  0  0  0
 28 50  1  0  0  0  0
 29 30  1  0  0  0  0
 29 51  1  0  0  0  0
 30 36  1  1  0  0  0
 30 52  1  0  0  0  0
 31 33  1  0  0  0  0
 31 53  1  0  0  0  0
 32 54  1  0  0  0  0
 32 55  1  0  0  0  0
 33 35  1  0  0  0  0
 33 56  1  0  0  0  0
 34 58  1  0  0  0  0
 34 59  1  0  0  0  0
 35 60  1  0  0  0  0
 36 62  1  0  0  0  0
 36 63  1  0  0  0  0
 37 38  1  0  0  0  0
 38 72  1  0  0  0  0
 38 73  1  0  0  0  0
 38 74  1  0  0  0  0
 39 40  1  0  0  0  0
 40 76  1  0  0  0  0
 40 77  1  0  0  0  0
 40 78  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71298092

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
854

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
16

> <PUBCHEM_CACTVS_HBOND_DONOR>
11

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7PgAAAAAAAAAAAAAAAAAAAAAAAAAkSJAAAAAAAAAAAAAAHgAQCAAACDzxgAcCCALABgAIAAEQEAAAAAAAAAAAAIAIAAATEAIAgAAnQAAHFgCXAAHwcA8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(3<I>R</I>,4<I>R</I>,5<I>R</I>,6<I>R</I>)-6-[[(2<I>R</I>,3<I>R</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(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]oxyoxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamide

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H38N2O16/c1-6(27)23-11-16(32)14(30)10(37-20(11)35)5-36-21-12(24-7(2)28)19(15(31)9(4-26)38-21)40-22-18(34)17(33)13(29)8(3-25)39-22/h8-22,25-26,29-35H,3-5H2,1-2H3,(H,23,27)(H,24,28)/t8-,9-,10-,11-,12-,13+,14+,15-,16-,17+,18-,19-,20?,21-,22+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
IUSYPSVPPIEUNR-OLVZTKNUSA-N

> <PUBCHEM_XLOGP3_AA>
-6.3

> <PUBCHEM_EXACT_MASS>
586.22213313

> <PUBCHEM_MOLECULAR_FORMULA>
C22H38N2O16

> <PUBCHEM_MOLECULAR_WEIGHT>
586.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1C(C(C(OC1O)COC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)NC(=O)C)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)O)NC(=O)C)O)O)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O

> <PUBCHEM_CACTVS_TPSA>
286

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
586.22213313

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
40

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
14

> <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>
19  1  5
24  1  5
29  10  5
31  11  6
35  13  3
20  17  6
33  18  5
23  34  5
26  32  6
22  3  5
30  36  5
21  6  6
25  7  6
27  8  5
28  9  6

$$$$