22235267
  -OEChem-04282423442D

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M  END
> <PUBCHEM_COMPOUND_CID>
22235267

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1490

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
31

> <PUBCHEM_CACTVS_HBOND_DONOR>
20

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
20

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8PgAAAAAAAAAAAAAAAAAAAAAAAAAkSJEiQAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAIAAgQgAIAAAAAAAAAAAFAAAAREBYAAAAiQAAFIAAHAAHKbAxAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
2,3,4,5-tetrahydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxymethyl]-2-oxanyl]oxymethyl]-2-oxanyl]oxymethyl]-2-oxanyl]oxy]hexanal

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,3,4,5-tetrahydroxy-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal

> <PUBCHEM_IUPAC_NAME>
2,3,4,5-tetrahydroxy-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexanal

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C36H62O31/c37-1-8(39)15(41)16(42)9(40)3-58-32-28(54)23(49)18(44)11(64-32)5-60-34-30(56)25(51)20(46)13(66-34)7-62-36-31(57)26(52)21(47)14(67-36)6-61-35-29(55)24(50)19(45)12(65-35)4-59-33-27(53)22(48)17(43)10(2-38)63-33/h1,8-36,38-57H,2-7H2

> <PUBCHEM_IUPAC_INCHIKEY>
OITCGTKWORAONZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-13.6

> <PUBCHEM_EXACT_MASS>
990.32750517

> <PUBCHEM_MOLECULAR_FORMULA>
C36H62O31

> <PUBCHEM_MOLECULAR_WEIGHT>
990.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OCC4C(C(C(C(O4)OCC5C(C(C(C(O5)OCC(C(C(C(C=O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)OCC4C(C(C(C(O4)OCC5C(C(C(C(O5)OCC(C(C(C(C=O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
514

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
990.32750517

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
67

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
29

> <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>
34  10  3
35  11  3
36  12  3
37  13  3
39  14  3
41  15  3
42  16  3
43  17  3
45  18  3
55  19  3
50  20  3
51  21  3
53  22  3
57  23  3
58  24  3
59  25  3
63  27  3
64  28  3
65  29  3
66  30  3
32  48  3
33  49  3
38  4  3
40  52  3
47  54  3
46  5  3
44  6  3
60  61  3
56  8  3

$$$$
