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 71 72  1  0  0  0  0
 71115  1  0  0  0  0
 72 73  1  0  0  0  0
 72116  1  0  0  0  0
 73 78  1  1  0  0  0
 73117  1  0  0  0  0
 74119  1  0  0  0  0
 74120  1  0  0  0  0
 75121  1  0  0  0  0
 75122  1  0  0  0  0
 76124  1  0  0  0  0
 76125  1  0  0  0  0
 77126  1  0  0  0  0
 77127  1  0  0  0  0
 78137  1  0  0  0  0
 78138  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3081403

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1800

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
36

> <PUBCHEM_CACTVS_HBOND_DONOR>
23

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
23

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8PgAAAAAAAAAAAAAAAAAAAAAAAAAkSJEiQAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAIAAgQgAIAAAAAAAAAAAFAAAAREBYAAAQiQAAFIAAHAAHKbAxAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R,3S,4R,5R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4,5,6-tetrakis[[(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,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-3,4,5,6-tetrakis[[(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>S</I>,6<I>R</I>)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(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]oxyoxan-2-yl]oxy-3,4,5,6-tetrakis[[(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]hexanal

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

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,3S,4R,5R)-2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,4,5,6-tetrakis[[(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,5S,6R)-4,5-dihydroxy-6-methylol-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4,5,6-tetrakis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy]hexanal

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C42H72O36/c43-1-9-17(50)23(56)29(62)37(68-9)67-8-16(75-38-30(63)24(57)18(51)10(2-44)69-38)35(77-40-32(65)26(59)20(53)12(4-46)71-40)34(76-39-31(64)25(58)19(52)11(3-45)70-39)15(7-49)74-42-36(28(61)22(55)14(6-48)73-42)78-41-33(66)27(60)21(54)13(5-47)72-41/h7,9-48,50-66H,1-6,8H2/t9-,10-,11-,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-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
YGMBQDCBGPAZNW-YIBJATESSA-N

> <PUBCHEM_XLOGP3_AA>
-13

> <PUBCHEM_EXACT_MASS>
1152.3803286

> <PUBCHEM_MOLECULAR_FORMULA>
C42H72O36

> <PUBCHEM_MOLECULAR_WEIGHT>
1153.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C1C(C(C(C(O1)OCC(C(C(C(C=O)OC2C(C(C(C(O2)CO)O)O)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)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)O)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)O)O)O

> <PUBCHEM_CACTVS_TPSA>
593

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1152.3803286

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
78

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
34

> <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>
37  1  5
46  1  6
67  11  6
43  12  5
44  13  6
48  15  6
49  16  5
53  17  5
54  18  6
55  19  6
38  2  6
47  2  5
56  20  6
58  21  6
59  22  5
61  23  5
62  24  5
63  25  6
65  26  6
69  28  6
71  29  5
41  3  6
42  3  5
72  30  6
45  68  5
39  5  6
50  5  6
57  74  5
40  6  6
52  6  6
60  75  6
64  76  5
66  77  5
73  78  5

$$$$
