71298178
  -OEChem-04262405372D

 72 74  0     1  0  0  0  0  0999 V2000
    7.7331    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7331    2.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0010   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8671   -0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8671    0.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350    0.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5991    2.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8671    2.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8671    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -2.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5991    3.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4030   -2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2690   -4.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1350   -3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905    4.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890    3.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116   -4.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -3.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8872    1.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5072    2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 19  1  1  1  0  0  0
 22  1  1  1  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
 18  3  1  1  0  0  0
 27  3  1  6  0  0  0
  4 26  1  0  0  0  0
  4 28  1  0  0  0  0
  5 27  1  0  0  0  0
  5 32  1  0  0  0  0
 20  6  1  1  0  0  0
  6 58  1  0  0  0  0
 21  7  1  6  0  0  0
  7 59  1  0  0  0  0
 25  8  1  1  0  0  0
  8 62  1  0  0  0  0
  9 28  1  0  0  0  0
  9 63  1  0  0  0  0
 29 10  1  1  0  0  0
 10 64  1  0  0  0  0
 30 11  1  6  0  0  0
 11 65  1  0  0  0  0
 31 12  1  6  0  0  0
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 13 33  1  0  0  0  0
 13 67  1  0  0  0  0
 14 34  1  0  0  0  0
 14 68  1  0  0  0  0
 15 35  1  0  0  0  0
 15 69  1  0  0  0  0
 16 36  2  0  0  0  0
 24 17  1  6  0  0  0
 17 36  1  0  0  0  0
 17 55  1  0  0  0  0
 18 20  1  0  0  0  0
 18 23  1  0  0  0  0
 18 38  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 33  1  1  0  0  0
 23 43  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
 26 34  1  1  0  0  0
 26 46  1  0  0  0  0
 27 29  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
 29 30  1  0  0  0  0
 29 49  1  0  0  0  0
 30 31  1  0  0  0  0
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 31 32  1  0  0  0  0
 31 51  1  0  0  0  0
 32 35  1  6  0  0  0
 32 52  1  0  0  0  0
 33 53  1  0  0  0  0
 33 54  1  0  0  0  0
 34 56  1  0  0  0  0
 34 57  1  0  0  0  0
 35 60  1  0  0  0  0
 35 61  1  0  0  0  0
 36 37  1  0  0  0  0
 37 70  1  0  0  0  0
 37 71  1  0  0  0  0
 37 72  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71298178

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
747

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
16

> <PUBCHEM_CACTVS_HBOND_DONOR>
11

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6PgAAAAAAAAAAAAAAAAAAAAAAAAAkSJAAAAAAAAAAAAAAHgAQCAAACDzxgAcCCALABgAIAAEQEAAAAAAAAAAAAIAIAAATEAIAgAAnQAAHFgCXAAHwcA8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H35NO16/c1-5(25)21-9-17(11(27)7(3-23)33-18(9)32)37-20-15(31)13(29)16(8(4-24)35-20)36-19-14(30)12(28)10(26)6(2-22)34-19/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10+,11+,12+,13-,14-,15-,16+,17-,18?,19+,20+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
PQZXWXWLEXPPIT-SWHOEDMASA-N

> <PUBCHEM_XLOGP3_AA>
-6.3

> <PUBCHEM_EXACT_MASS>
545.19558403

> <PUBCHEM_MOLECULAR_FORMULA>
C20H35NO16

> <PUBCHEM_MOLECULAR_WEIGHT>
545.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1C(C(C(OC1O)CO)O)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
278

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
545.19558403

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
37

> <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
22  1  5
29  10  5
30  11  6
31  12  6
24  17  6
23  33  5
26  34  5
18  3  5
27  3  6
32  35  6
20  6  5
21  7  6
25  8  5
28  9  3

$$$$