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 47 49  1  0  0  0  0
 47 51  1  0  0  0  0
 47 95  1  0  0  0  0
 48 96  1  0  0  0  0
 49 97  1  0  0  0  0
 50 51  1  0  0  0  0
 50 53  1  0  0  0  0
 50 98  1  0  0  0  0
 51 99  1  0  0  0  0
 52 54  1  0  0  0  0
 52 55  1  0  0  0  0
 52100  1  0  0  0  0
 53 63  1  1  0  0  0
 53101  1  0  0  0  0
 54 56  1  0  0  0  0
 54102  1  0  0  0  0
 55 66  1  1  0  0  0
 55103  1  0  0  0  0
 56 57  1  0  0  0  0
 56104  1  0  0  0  0
 57105  1  0  0  0  0
 58 60  1  0  0  0  0
 58106  1  0  0  0  0
 59107  1  0  0  0  0
 59108  1  0  0  0  0
 60 62  1  0  0  0  0
 60109  1  0  0  0  0
 61111  1  0  0  0  0
 61112  1  0  0  0  0
 62 64  1  0  0  0  0
 62114  1  0  0  0  0
 63116  1  0  0  0  0
 63117  1  0  0  0  0
 64 65  1  0  0  0  0
 64118  1  0  0  0  0
 65 70  1  6  0  0  0
 65119  1  0  0  0  0
 66122  1  0  0  0  0
 66123  1  0  0  0  0
 67 72  1  0  0  0  0
 67 73  1  0  0  0  0
 67126  1  0  0  0  0
 68 75  1  0  0  0  0
 69 76  1  0  0  0  0
 70129  1  0  0  0  0
 70130  1  0  0  0  0
 71 79  1  0  0  0  0
 72 78  1  0  0  0  0
 72133  1  0  0  0  0
 73 80  1  0  0  0  0
 73134  1  0  0  0  0
 74 81  1  0  0  0  0
 75138  1  0  0  0  0
 75139  1  0  0  0  0
 75140  1  0  0  0  0
 76142  1  0  0  0  0
 76143  1  0  0  0  0
 76144  1  0  0  0  0
 77 82  1  0  0  0  0
 78 83  1  0  0  0  0
 78145  1  0  0  0  0
 79146  1  0  0  0  0
 79147  1  0  0  0  0
 79148  1  0  0  0  0
 80149  1  0  0  0  0
 80150  1  0  0  0  0
 81151  1  0  0  0  0
 81152  1  0  0  0  0
 81153  1  0  0  0  0
 82156  1  0  0  0  0
 82157  1  0  0  0  0
 82158  1  0  0  0  0
 83161  1  0  0  0  0
 84 85  1  0  0  0  0
 85163  1  0  0  0  0
 85164  1  0  0  0  0
 85165  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
197182

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
2220

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
31

> <PUBCHEM_CACTVS_HBOND_DONOR>
20

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
26

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/vgAAAAAAAAAAAAAAAAAAAAAAAAAkSJEiQAAAAAAAAAAAHgAQCAAACDzxgAcCCALABgAIAAkQkAAAAAAAAAAAAIGIAAATEBYAgCAnQAAHNgCXAAH6fA9AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C48H80N6O31/c1-14(62)49-20(7-55)32(69)39(21(68)8-56)81-45-28(51-16(3)64)35(72)41(23(10-58)77-45)83-47-30(53-18(5)66)37(74)43(25(12-60)79-47)85-48-31(54-19(6)67)38(75)42(26(13-61)80-48)84-46-29(52-17(4)65)36(73)40(24(11-59)78-46)82-44-27(50-15(2)63)34(71)33(70)22(9-57)76-44/h7,20-48,56-61,68-75H,8-13H2,1-6H3,(H,49,62)(H,50,63)(H,51,64)(H,52,65)(H,53,66)(H,54,67)/t20-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44-,45-,46-,47-,48-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
FUHDMRPNDKDRFE-LPUYKFNUSA-N

> <PUBCHEM_XLOGP3_AA>
-13.6

> <PUBCHEM_EXACT_MASS>
1236.4867998

> <PUBCHEM_MOLECULAR_FORMULA>
C48H80N6O31

> <PUBCHEM_MOLECULAR_WEIGHT>
1237.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)NC(=O)C)OC3C(OC(C(C3O)NC(=O)C)OC4C(OC(C(C4O)NC(=O)C)OC5C(OC(C(C5O)NC(=O)C)OC(C(CO)O)C(C(C=O)NC(=O)C)O)CO)CO)CO)CO)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](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)NC(=O)C)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)NC(=O)C)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)NC(=O)C)O)CO)CO)CO)CO)CO)O)O

> <PUBCHEM_CACTVS_TPSA>
567

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1236.4867998

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
85

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
29

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
39  1  6
42  1  6
43  10  5
51  12  5
57  13  5
67  13  6
54  14  5
62  17  6
64  19  5
38  2  5
49  2  5
72  24  5
73  26  6
40  32  5
44  33  6
47  34  6
56  35  6
60  36  5
78  37  6
45  59  6
46  61  5
48  5  5
52  5  6
53  63  5
55  66  5
65  70  6
50  7  6
58  7  6
41  9  6

$$$$
