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M  END
> <PUBCHEM_COMPOUND_CID>
162642246

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
2400

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
43

> <PUBCHEM_CACTVS_HBOND_DONOR>
23

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
19

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8PgAAAAAAAAAAAAAAAAAAAAAAAAAkSJEiQAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAIAACQCAIAAAAAAAAAAAFAAAAREBYAAAQiQAAFIAAHAAHKbAxAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

> <PUBCHEM_IUPAC_NAME>
(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5S,6R)-2-carboxy-6-[(2R,3S,4R,5S,6R)-2-carboxy-6-[(2R,3S,4R,5S,6R)-2-carboxy-6-[(2R,3S,4R,5S,6R)-2-carboxy-6-[(2R,3S,4R,5S,6R)-2-carboxy-6-[(2R,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-3,4,5-trihydroxyoxane-2-carboxylic acid

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C42H58O43/c43-1-2(44)22(29(58)59)80-37(10(1)52)75-17-4(46)12(54)39(82-24(17)31(62)63)77-19-6(48)14(56)41(84-26(19)33(66)67)79-21-8(50)15(57)42(85-28(21)35(70)71)78-20-7(49)13(55)40(83-27(20)34(68)69)76-18-5(47)11(53)38(81-25(18)32(64)65)74-16-3(45)9(51)36(72)73-23(16)30(60)61/h1-28,36-57,72H,(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,68,69)(H,70,71)/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+,36+,37+,38+,39+,40+,41+,42+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
GXPCMELWUBXVLD-HTAIWMSRSA-N

> <PUBCHEM_XLOGP3_AA>
-13.7

> <PUBCHEM_EXACT_MASS>
1250.2351805

> <PUBCHEM_MOLECULAR_FORMULA>
C42H58O43

> <PUBCHEM_MOLECULAR_WEIGHT>
1250.9

> <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)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)O)O)O)O)O)O)O)O)O)O)O)O)C(=O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
705

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1250.2351805

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
85

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
35

> <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>
44  1  5
52  1  5
62  10  5
70  10  5
67  11  6
69  11  6
47  12  6
48  13  5
49  14  6
51  15  5
53  16  5
54  17  5
60  18  6
63  19  6
45  2  6
50  2  6
64  20  6
65  22  6
71  24  5
72  25  5
75  27  5
78  30  5
79  31  6
83  36  5
46  4  6
61  4  6
55  5  5
56  5  5
57  74  5
58  76  6
59  77  6
66  81  5
68  82  5
73  84  6
80  85  6

$$$$
