71298180
  -OEChem-05122408192D

 72 74  0     1  0  0  0  0  0999 V2000
    7.7331   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -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
    9.4651    0.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -2.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -3.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -2.5950    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
   12.0632   -1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.4050    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
    9.4651    2.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    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
    8.5991    0.9050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5991    1.9050    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5991   -1.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7331    2.4050    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5991   -2.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0010    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3312   -2.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3312   -1.0950    0.0000 C   0  0  1  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
    5.1350   -2.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -2.5950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -2.0950    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4030   -1.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1972   -0.5950    0.0000 C   0  0  0  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
    9.4651    3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.9050    0.0000 C   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
    6.3301    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890    0.9876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3905    0.2973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.4750    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
    5.1350   -2.7150    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
   10.0021    2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957   -0.1201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7987   -0.1201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -0.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249   -1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021   -3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -3.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -2.2850    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
   12.6002   -0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6412    3.3681    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
   10.0212    4.4419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 18  1  1  6  0  0  0
 22  1  1  6  0  0  0
  2 19  1  0  0  0  0
  2 23  1  0  0  0  0
  3 22  1  0  0  0  0
  3 28  1  0  0  0  0
  4 25  1  0  0  0  0
 29  4  1  1  0  0  0
 20  5  1  1  0  0  0
  5 56  1  0  0  0  0
  6 29  1  0  0  0  0
  6 33  1  0  0  0  0
  7 23  1  0  0  0  0
  7 59  1  0  0  0  0
 24  8  1  1  0  0  0
  8 62  1  0  0  0  0
 26  9  1  6  0  0  0
  9 63  1  0  0  0  0
 27 10  1  6  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  1  0  0  0
 12 66  1  0  0  0  0
 32 13  1  1  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 72  1  0  0  0  0
 16 36  2  0  0  0  0
 21 17  1  6  0  0  0
 17 36  1  0  0  0  0
 17 55  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 38  1  0  0  0  0
 19 25  1  1  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 23  1  0  0  0  0
 21 41  1  0  0  0  0
 22 24  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 26  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 27 48  1  0  0  0  0
 28 34  1  6  0  0  0
 28 49  1  0  0  0  0
 29 30  1  0  0  0  0
 29 50  1  0  0  0  0
 30 31  1  0  0  0  0
 30 51  1  0  0  0  0
 31 32  1  0  0  0  0
 31 52  1  0  0  0  0
 32 33  1  0  0  0  0
 32 53  1  0  0  0  0
 33 35  1  1  0  0  0
 33 54  1  0  0  0  0
 34 57  1  0  0  0  0
 34 58  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 69  1  0  0  0  0
 37 70  1  0  0  0  0
 37 71  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71298180

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHIKEY>
KHTHLGQKFOOYKX-MRGJSYKYSA-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)COC2C(C(C(C(O2)CO)O)O)O)OC3C(C(C(C(O3)CO)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)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>
18  1  6
22  1  6
27  10  6
30  11  6
31  12  5
32  13  5
21  17  6
19  25  5
28  34  6
33  35  5
29  4  5
20  5  5
23  7  3
24  8  5
26  9  6

$$$$