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M  END
> <PUBCHEM_COMPOUND_CID>
145865806

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
2620

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
35

> <PUBCHEM_CACTVS_HBOND_DONOR>
14

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
32

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8PgAAAAAAAAAAAAAAAAAAASAAAAA0aNEiAAAAAAABUAAAGgAACAAADBSwmAMyDoAABgCIAiDSCAACAAAkIAAIiAEGCMgZNzKCNRqicQAlwBEPuYfI6GyOIAACAAAIAABAAAQAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[2-[4-[5-acetoxy-6-(acetoxymethyl)-3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-6-(acetoxymethyl)-5-[(E)-3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enoyl]oxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]tetrahydrofuran-3-yl] benzoate

> <PUBCHEM_IUPAC_CAS_NAME>
benzoic acid [2-[[4-[[5-acetyloxy-6-(acetyloxymethyl)-3-hydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-6-(acetyloxymethyl)-5-[(E)-3-[4-hydroxy-3-(hydroxymethyl)phenyl]-1-oxoprop-2-enoxy]-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]methyl]-3-oxolanyl] ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
[2-[4-[5-acetyloxy-6-(acetyloxymethyl)-3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(acetyloxymethyl)-5-[(<I>E</I>)-3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enoyl]oxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(<I>E</I>)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate

> <PUBCHEM_IUPAC_NAME>
[2-[4-[5-acetyloxy-6-(acetyloxymethyl)-3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(acetyloxymethyl)-5-[(E)-3-[4-hydroxy-3-(hydroxymethyl)phenyl]prop-2-enoyl]oxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxolan-3-yl] benzoate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[2-[4-[5-acetyloxy-6-(acetyloxymethyl)-4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-oxan-2-yl]oxy-6-(acetyloxymethyl)-5-[(E)-3-[3-(hydroxymethyl)-4-oxidanyl-phenyl]prop-2-enoyl]oxy-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-5-(hydroxymethyl)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-4-oxidanyl-oxolan-3-yl] benzoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
benzoic acid [2-[4-[5-acetoxy-6-(acetoxymethyl)-3-hydroxy-4-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-6-(acetoxymethyl)-5-[(E)-3-(4-hydroxy-3-methylol-phenyl)acryloyl]oxy-3-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl]oxy-4-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)acryloyl]oxymethyl]-5-methylol-tetrahydrofuran-3-yl] ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C62H76O35/c1-27(67)83-24-39-51(86-29(3)69)53(92-58-48(79)46(77)43(74)36(21-64)87-58)50(81)60(89-39)93-54-52(91-42(73)18-13-31-11-16-35(71)33(19-31)20-63)40(25-84-28(2)68)90-61(55(54)94-59-49(80)47(78)44(75)37(22-65)88-59)97-62(26-85-41(72)17-12-30-9-14-34(70)15-10-30)56(45(76)38(23-66)96-62)95-57(82)32-7-5-4-6-8-32/h4-19,36-40,43-56,58-61,63-66,70-71,74-81H,20-26H2,1-3H3/b17-12+,18-13+

> <PUBCHEM_IUPAC_INCHIKEY>
YFGGZRSNRSSQAZ-PWDIZTEBSA-N

> <PUBCHEM_XLOGP3_AA>
-2.1

> <PUBCHEM_EXACT_MASS>
1380.4167141

> <PUBCHEM_MOLECULAR_FORMULA>
C62H76O35

> <PUBCHEM_MOLECULAR_WEIGHT>
1381.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)C=CC6=CC=C(C=C6)O)COC(=O)C)OC(=O)C=CC7=CC(=C(C=C7)O)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC(=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)OCC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(C(O3)CO)O)O)O)OC4(C(C(C(O4)CO)O)OC(=O)C5=CC=CC=C5)COC(=O)/C=C/C6=CC=C(C=C6)O)COC(=O)C)OC(=O)/C=C/C7=CC(=C(C=C7)O)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC(=O)C

> <PUBCHEM_CACTVS_TPSA>
524

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1380.4167141

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
97

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
24

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
2

> <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>
38  1  3
43  11  3
47  12  3
48  13  3
53  17  3
54  18  3
56  20  3
60  22  3
61  23  3
62  24  3
36  3  3
44  3  3
37  4  3
50  4  3
40  51  3
41  52  3
46  55  3
49  59  3
57  64  3
63  67  3
39  7  3
72  78  8
72  79  8
78  81  8
79  82  8
45  8  3
58  8  3
81  85  8
82  85  8
83  87  8
83  88  8
86  91  8
86  92  8
87  89  8
88  90  8
89  93  8
42  9  3
90  93  8
91  95  8
92  96  8
95  97  8
96  97  8

$$$$
