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  8 54  1  0  0  0  0
  8 71  1  0  0  0  0
 53  9  1  6  0  0  0
 72  9  1  1  0  0  0
 57 10  1  1  0  0  0
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 39183  1  0  0  0  0
 93 40  1  6  0  0  0
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100184  1  0  0  0  0
100185  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
131698471

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
2440

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
46

> <PUBCHEM_CACTVS_HBOND_DONOR>
29

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
29

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8PgAAAAAAAAAAAAAAAAAAAAAAAAAkSJEiQAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAIAAgQgAIAAAAAAAAAAAFAAAAREBYAAAQiQAAFIAAHAAHKbAxAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
(2R,3S,4R,5R)-2-[[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-3,4,5-tris[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hexanal

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>R</I>,3<I>S</I>,4<I>R</I>,5<I>R</I>)-2-[(2<I>R</I>,3<I>R</I>,4<I>S</I>,5<I>R</I>,6<I>R</I>)-6-(hydroxymethyl)-3,4,5-tris[[(2<I>R</I>,3<I>R</I>,4<I>S</I>,5<I>S</I>,6<I>R</I>)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-3,4,5-tris[[(2<I>R</I>,3<I>R</I>,4<I>S</I>,5<I>S</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>S</I>,6<I>R</I>)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal

> <PUBCHEM_IUPAC_NAME>
(2R,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-3,4,5-tris[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C54H92O46/c55-1-11-21(64)28(71)35(78)47(86-11)85-10-20(95-48-36(79)29(72)22(65)12(2-56)87-48)44(98-51-39(82)32(75)25(68)15(5-59)90-51)42(96-49-37(80)30(73)23(66)13(3-57)88-49)18(8-62)93-54-46(100-53-41(84)34(77)27(70)17(7-61)92-53)45(99-52-40(83)33(76)26(69)16(6-60)91-52)43(19(9-63)94-54)97-50-38(81)31(74)24(67)14(4-58)89-50/h8,11-61,63-84H,1-7,9-10H2/t11-,12-,13-,14-,15-,16-,17-,18+,19-,20-,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-,49-,50-,51-,52-,53-,54+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
KNBVLVBOKWRYEP-VOTZUFKISA-N

> <PUBCHEM_XLOGP3_AA>
-16.7

> <PUBCHEM_EXACT_MASS>
1476.4859754

> <PUBCHEM_MOLECULAR_FORMULA>
C54H92O46

> <PUBCHEM_MOLECULAR_WEIGHT>
1477.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C1C(C(C(C(O1)OCC(C(C(C(C=O)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C=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[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
751

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1476.4859754

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
100

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
44

> <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>
57  10  5
73  10  6
63  11  6
78  11  6
59  14  5
60  16  6
61  17  6
62  18  6
64  19  5
47  2  5
52  2  5
65  20  5
66  21  5
92  22  5
68  24  6
69  25  6
74  26  5
76  27  6
77  29  6
48  3  6
54  3  6
79  30  5
81  31  5
84  33  6
86  34  6
89  38  5
90  39  6
49  4  6
55  4  6
93  40  6
95  42  5
97  44  6
51  5  6
56  5  5
50  58  5
67  83  6
70  87  5
71  88  5
82  94  6
85  96  5
53  9  6
72  9  5
91  99  5
98  100  5

$$$$
