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 56 57  1  0  0  0  0
 56104  1  0  0  0  0
 57105  1  0  0  0  0
 58 59  1  0  0  0  0
 58106  1  0  0  0  0
 59107  1  0  0  0  0
 60 64  1  0  0  0  0
 60108  1  0  0  0  0
 61 63  1  0  0  0  0
 61109  1  0  0  0  0
 62 63  1  0  0  0  0
 62110  1  0  0  0  0
 63111  1  0  0  0  0
 64 67  1  0  0  0  0
 64112  1  0  0  0  0
 65 84  1  1  0  0  0
 65113  1  0  0  0  0
 66 85  1  6  0  0  0
 66114  1  0  0  0  0
 67115  1  0  0  0  0
 68 71  1  0  0  0  0
 68 77  1  0  0  0  0
 68116  1  0  0  0  0
 69 86  1  6  0  0  0
 69117  1  0  0  0  0
 70 88  1  1  0  0  0
 70118  1  0  0  0  0
 71 76  1  0  0  0  0
 71119  1  0  0  0  0
 72 74  1  0  0  0  0
 72120  1  0  0  0  0
 73 75  1  0  0  0  0
 73 79  1  0  0  0  0
 73121  1  0  0  0  0
 74 75  1  0  0  0  0
 74122  1  0  0  0  0
 75123  1  0  0  0  0
 76 78  1  0  0  0  0
 76124  1  0  0  0  0
 77 93  1  1  0  0  0
 77125  1  0  0  0  0
 78126  1  0  0  0  0
 79 94  1  6  0  0  0
 79127  1  0  0  0  0
 80 82  1  0  0  0  0
 80 87  1  0  0  0  0
 80128  1  0  0  0  0
 81 83  1  0  0  0  0
 81129  1  0  0  0  0
 82 90  1  0  0  0  0
 82130  1  0  0  0  0
 83 89  1  0  0  0  0
 83131  1  0  0  0  0
 87 96  1  6  0  0  0
 87132  1  0  0  0  0
 89 91  1  0  0  0  0
 89135  1  0  0  0  0
 90 95  1  0  0  0  0
 90139  1  0  0  0  0
 91 92  1  0  0  0  0
 91142  1  0  0  0  0
 92 97  1  1  0  0  0
 92144  1  0  0  0  0
 95146  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
162642256

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
2820

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
49

> <PUBCHEM_CACTVS_HBOND_DONOR>
26

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
22

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8PgAAAAAAAAAAAAAAAAAAAAAAAAAkSJEiQAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAIAACQCAIAAAAAAAAAAAFAAAAREBYAAAQiQAAFIAAHAAHKbAxAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S,3S,4S,5S,6R)-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-4,5,6-trihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
(2S,3S,4S,5S,6R)-6-[[(2S,3S,4R,5S,6R)-2-carboxy-6-[[(2S,3S,4R,5S,6R)-2-carboxy-6-[[(2S,3S,4R,5S,6R)-2-carboxy-6-[[(2S,3S,4R,5S,6R)-2-carboxy-6-[[(2S,3S,4R,5S,6R)-2-carboxy-6-[[(2S,3S,4R,5S,6R)-2-carboxy-6-[[(2S,3S,4R,5S,6R)-2-carboxy-4,5,6-trihydroxy-3-oxanyl]oxy]-4,5-dihydroxy-3-oxanyl]oxy]-4,5-dihydroxy-3-oxanyl]oxy]-4,5-dihydroxy-3-oxanyl]oxy]-4,5-dihydroxy-3-oxanyl]oxy]-4,5-dihydroxy-3-oxanyl]oxy]-4,5-dihydroxy-3-oxanyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>S</I>,3<I>S</I>,4<I>S</I>,5<I>S</I>,6<I>R</I>)-6-[(2<I>S</I>,3<I>S</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-2-carboxy-6-[(2<I>S</I>,3<I>S</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-2-carboxy-6-[(2<I>S</I>,3<I>S</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-2-carboxy-6-[(2<I>S</I>,3<I>S</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-2-carboxy-6-[(2<I>S</I>,3<I>S</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-2-carboxy-6-[(2<I>S</I>,3<I>S</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-2-carboxy-6-[(2<I>S</I>,3<I>S</I>,4<I>R</I>,5<I>S</I>,6<I>R</I>)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

> <PUBCHEM_IUPAC_NAME>
(2S,3S,4S,5S,6R)-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2S,3S,4S,5S,6R)-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S,3S,4S,5S,6R)-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-6-[(2S,3S,4R,5S,6R)-2-carboxy-4,5,6-trihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-4,5-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C48H66O49/c49-1-2(50)25(33(66)67)91-42(11(1)59)85-19-4(52)13(61)44(93-27(19)35(70)71)87-21-6(54)15(63)46(95-29(21)37(74)75)89-23-8(56)17(65)48(97-31(23)39(78)79)90-24-9(57)16(64)47(96-32(24)40(80)81)88-22-7(55)14(62)45(94-30(22)38(76)77)86-20-5(53)12(60)43(92-28(20)36(72)73)84-18-3(51)10(58)41(82)83-26(18)34(68)69/h1-32,41-65,82H,(H,66,67)(H,68,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,78,79)(H,80,81)/t1-,2-,3+,4+,5+,6+,7+,8+,9+,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,41+,42+,43+,44+,45+,46+,47+,48+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
TYKJWORTIBLUFL-KNFIUSBISA-N

> <PUBCHEM_XLOGP3_AA>
-15.6

> <PUBCHEM_EXACT_MASS>
1426.2672684

> <PUBCHEM_MOLECULAR_FORMULA>
C48H66O49

> <PUBCHEM_MOLECULAR_WEIGHT>
1427.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1(C(C(OC(C1O)OC2C(C(C(OC2C(=O)O)OC3C(C(C(OC3C(=O)O)OC4C(C(C(OC4C(=O)O)OC5C(C(C(OC5C(=O)O)OC6C(C(C(OC6C(=O)O)OC7C(C(C(OC7C(=O)O)OC8C(C(C(OC8C(=O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)C(=O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
[C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O[C@H]2[C@@H]([C@@H]([C@@H](O[C@@H]2C(=O)O)O[C@H]3[C@@H]([C@@H]([C@@H](O[C@@H]3C(=O)O)O[C@H]4[C@@H]([C@@H]([C@@H](O[C@@H]4C(=O)O)O[C@H]5[C@@H]([C@@H]([C@@H](O[C@@H]5C(=O)O)O[C@H]6[C@@H]([C@@H]([C@@H](O[C@@H]6C(=O)O)O[C@H]7[C@@H]([C@@H]([C@@H](O[C@@H]7C(=O)O)O[C@H]8[C@@H]([C@@H]([C@@H](O[C@@H]8C(=O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)C(=O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
801

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1426.2672684

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
97

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
40

> <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>
50  1  6
57  1  6
73  12  5
81  12  5
78  13  5
80  13  5
53  14  5
54  15  6
56  16  6
58  17  5
60  18  6
61  19  5
51  2  5
62  2  5
63  20  5
64  21  6
71  22  5
74  23  6
75  24  6
76  26  5
82  28  6
83  29  5
52  3  5
59  3  5
89  34  5
90  35  6
91  38  6
95  43  6
55  6  6
72  6  6
65  84  5
66  85  6
69  86  6
70  88  5
77  93  5
79  94  6
67  8  6
68  8  6
87  96  6
92  97  5

$$$$
