71298182
  -OEChem-05092423302D

 72 74  0     1  0  0  0  0  0999 V2000
    6.9716    1.3187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9885   -1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827   -0.7006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4443    0.5560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.8242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3065   -3.6350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7927   -2.2968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3510    2.5447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.1758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.8242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1754    4.1627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3280   -0.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.8242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5633   -4.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4043   -3.0170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7806   -0.0826    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4497    0.6606    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8671    0.3242    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9497    1.5266    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9396   -1.3697    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1475   -2.3479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350    0.3242    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0985   -2.6569    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8417   -1.9878    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3565    2.4401    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690   -0.1758    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6338   -1.0096    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030    0.3242    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.4030    1.3242    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7687    3.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769   -0.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.8242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6123   -3.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8691   -4.6643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2988   -0.4728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6719    0.0818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -0.2958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6882   -2.8485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3024   -1.5729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7209    1.9386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5049   -0.4032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.9442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.9442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8147   -2.8254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8087    1.0576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2547    3.5959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3380    2.8032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6680    0.2069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8884    0.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    1.9318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    1.2416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8961   -3.8266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9217   -2.9032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    0.1342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.4442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7887   -0.2346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -4.2036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2840   -5.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
 18  2  1  1  0  0  0
 22  2  1  1  0  0  0
 20  3  1  1  0  0  0
 24  3  1  6  0  0  0
  4 22  1  0  0  0  0
  4 29  1  0  0  0  0
 19  5  1  6  0  0  0
  5 54  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
 25  7  1  6  0  0  0
  7 61  1  0  0  0  0
 26  8  1  1  0  0  0
  8 62  1  0  0  0  0
 27  9  1  1  0  0  0
  9 64  1  0  0  0  0
 28 10  1  1  0  0  0
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 30 11  1  1  0  0  0
 11 65  1  0  0  0  0
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 13 33  1  0  0  0  0
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 16 36  2  0  0  0  0
 23 17  1  1  0  0  0
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 17 53  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 21  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 27  1  0  0  0  0
 21 41  1  6  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 23 25  1  0  0  0  0
 23 43  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 33  1  0  0  0  0
 27 47  1  0  0  0  0
 28 30  1  0  0  0  0
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 29 34  1  6  0  0  0
 29 49  1  0  0  0  0
 30 32  1  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
 32 35  1  1  0  0  0
 32 52  1  0  0  0  0
 33 55  1  0  0  0  0
 33 56  1  0  0  0  0
 34 57  1  0  0  0  0
 34 58  1  0  0  0  0
 35 59  1  0  0  0  0
 35 60  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>
71298182

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
747

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
16

> <PUBCHEM_CACTVS_HBOND_DONOR>
11

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6PgAAAAAAAAAAAAAAAAAAASAAAAAkSAAAAAAAAAAAAAAAHgAQCAAACDzxgAcCCALABgAIAAEQEAAAAAAAAAAAAIAIAAATEAIAgAAnQAAHFgCXAAHwcA8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-[[(3R,4S,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]oxy]-3-oxolanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(2<I>R</I>,3<I>R</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-2-[(2<I>R</I>,3<I>R</I>,4<I>S</I>,5<I>S</I>)-5-[(1<I>R</I>)-1,2-dihydroxyethyl]-4-hydroxy-2-[(3<I>R</I>,4<I>S</I>,5<I>R</I>,6<I>R</I>)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H35NO16/c1-5(25)21-9-12(29)10(27)8(4-24)34-19(9)37-17-14(31)15(6(26)2-22)35-20(17)36-16-13(30)11(28)7(3-23)33-18(16)32/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>
HIANTICUONOIBZ-MZRSCYLUSA-N

> <PUBCHEM_XLOGP3_AA>
-5.8

> <PUBCHEM_EXACT_MASS>
545.19558403

> <PUBCHEM_MOLECULAR_FORMULA>
C20H35NO16

> <PUBCHEM_MOLECULAR_WEIGHT>
545.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1C(C(C(OC1OC2C(C(OC2OC3C(C(C(OC3O)CO)O)O)C(CO)O)O)CO)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]2[C@H]([C@@H](O[C@@H]2O[C@@H]3[C@H]([C@H]([C@H](OC3O)CO)O)O)[C@@H](CO)O)O)CO)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>
28  10  5
30  11  5
31  12  3
23  17  5
18  2  5
22  2  5
21  41  6
29  34  6
20  3  5
24  3  6
32  35  5
19  5  6
25  7  6
26  8  5
27  9  5

$$$$