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 42 46  1  0  0  0  0
 42 50  1  0  0  0  0
 42 51  1  0  0  0  0
 43 48  1  0  0  0  0
 43 52  1  0  0  0  0
 43 53  1  6  0  0  0
 44 99  1  0  0  0  0
 44100  1  0  0  0  0
 44101  1  0  0  0  0
 45 49  1  0  0  0  0
 45102  1  0  0  0  0
 45103  1  0  0  0  0
 46104  1  0  0  0  0
 46105  1  0  0  0  0
 47106  1  0  0  0  0
 47107  1  0  0  0  0
 47108  1  0  0  0  0
 48 49  1  0  0  0  0
 48109  1  0  0  0  0
 49110  1  0  0  0  0
 49111  1  0  0  0  0
 50113  1  0  0  0  0
 50114  1  0  0  0  0
 50115  1  0  0  0  0
 51116  1  0  0  0  0
 51117  1  0  0  0  0
 51118  1  0  0  0  0
 52119  1  0  0  0  0
 52120  1  0  0  0  0
 53121  1  0  0  0  0
 53122  1  0  0  0  0
 53123  1  0  0  0  0
 54 55  1  0  0  0  0
 54125  1  0  0  0  0
 55 56  1  0  0  0  0
 55126  1  0  0  0  0
 56 58  1  0  0  0  0
 56127  1  0  0  0  0
 57 58  1  0  0  0  0
 57 59  1  1  0  0  0
 57128  1  0  0  0  0
 58129  1  0  0  0  0
 59130  1  0  0  0  0
 59131  1  0  0  0  0
 59132  1  0  0  0  0
 60 62  1  0  0  0  0
 60133  1  0  0  0  0
 61 63  1  0  0  0  0
 61135  1  0  0  0  0
 62 64  1  0  0  0  0
 62136  1  0  0  0  0
 63 67  1  0  0  0  0
 63137  1  0  0  0  0
 64 66  1  0  0  0  0
 64138  1  0  0  0  0
 65 66  1  0  0  0  0
 65 70  1  6  0  0  0
 65139  1  0  0  0  0
 66140  1  0  0  0  0
 67 69  1  0  0  0  0
 67141  1  0  0  0  0
 68 69  1  0  0  0  0
 68 71  1  1  0  0  0
 68142  1  0  0  0  0
 69144  1  0  0  0  0
 70145  1  0  0  0  0
 70146  1  0  0  0  0
 71150  1  0  0  0  0
 71151  1  0  0  0  0
 72 73  1  0  0  0  0
 72154  1  0  0  0  0
 73 74  1  0  0  0  0
 73156  1  0  0  0  0
 74 76  1  0  0  0  0
 74157  1  0  0  0  0
 75 76  1  0  0  0  0
 75 77  1  6  0  0  0
 75158  1  0  0  0  0
 76159  1  0  0  0  0
 77161  1  0  0  0  0
 77162  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
190817

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
2120

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
23

> <PUBCHEM_CACTVS_HBOND_DONOR>
14

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8PgAAAAAAAAAAAAAAAAAAASAAAAA0aNGiBIAAAEjAAAAAGgAACAAAD1SwgAMCCAAABgCAACBCAAAAAAAgAAAICAAAAAgRFAIAIQAiUAAFgAAPIAPA4PwPgAAAAAAAAADCAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[(2R,3R,4S,5S,6R)-5-hydroxy-2-[[(2S,4S,5R,8R,9R,10S,13S,14R,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl]oxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

> <PUBCHEM_IUPAC_CAS_NAME>
(2S,3R,4S,5S,6R)-2-[[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-5-hydroxy-2-[[(2S,4S,5R,8R,9R,10S,13S,14R,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyl-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4-oxanyl]oxy]-2-(hydroxymethyl)-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>S</I>,3<I>R</I>,4<I>S</I>,5<I>S</I>,6<I>R</I>)-2-[(2<I>R</I>,3<I>S</I>,4<I>R</I>,5<I>R</I>,6<I>S</I>)-4,5-dihydroxy-6-[(2<I>R</I>,3<I>R</I>,4<I>S</I>,5<I>S</I>,6<I>R</I>)-5-hydroxy-2-[[(2<I>S</I>,4<I>S</I>,5<I>R</I>,8<I>R</I>,9<I>R</I>,10<I>S</I>,13<I>S</I>,14<I>R</I>,18<I>R</I>)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.0<SUP>1,18</SUP>.0<SUP>4,17</SUP>.0<SUP>5,14</SUP>.0<SUP>8,13</SUP>]tetracos-15-en-10-yl]oxy]-6-methyl-3-[(2<I>S</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-4-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_NAME>
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[(2R,3R,4S,5S,6R)-5-hydroxy-2-[[(2S,4S,5R,8R,9R,10S,13S,14R,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-2-[[(2S,4S,5R,8R,9R,10S,13S,14R,18R)-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-2-oxidanyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[(2R,3R,4S,5S,6R)-5-hydroxy-2-[[(2S,4S,5R,8R,9R,10S,13S,14R,18R)-2-hydroxy-4,5,9,13,20,20-hexamethyl-9-methylol-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl]oxy-2-methylol-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C54H88O23/c1-23-32(60)42(76-46-40(68)37(65)41(26(20-57)73-46)75-44-38(66)35(63)33(61)24(18-55)71-44)43(77-45-39(67)36(64)34(62)25(19-56)72-45)47(70-23)74-31-10-11-49(4)27(50(31,5)21-58)8-12-51(6)28(49)9-13-54-29-16-48(2,3)14-15-53(29,22-69-54)30(59)17-52(51,54)7/h9,13,23-47,55-68H,8,10-12,14-22H2,1-7H3/t23-,24-,25-,26-,27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,39-,40-,41-,42+,43-,44+,45+,46+,47+,49+,50+,51-,52+,53?,54?/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
OSGFJRKJEPQTRB-VQCUNJLYSA-N

> <PUBCHEM_XLOGP3_AA>
-1.2

> <PUBCHEM_EXACT_MASS>
1104.57163905

> <PUBCHEM_MOLECULAR_FORMULA>
C54H88O23

> <PUBCHEM_MOLECULAR_WEIGHT>
1105.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C(C(C(C(O1)OC2CCC3(C(C2(C)CO)CCC4(C3C=CC56C4(CC(C7(C5CC(CC7)(C)C)CO6)O)C)C)C)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)CO)OC1C(C(C(C(O1)CO)O)O)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H]([C@]2(C)CO)CC[C@@]4([C@@H]3C=CC56[C@]4(C[C@@H](C7([C@H]5CC(CC7)(C)C)CO6)O)C)C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
366

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1104.57163905

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
77

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
29

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
62  11  5
63  12  6
64  13  6
66  14  5
67  15  5
69  16  6
72  16  6
32  2  6
73  20  5
74  21  6
76  22  5
24  40  5
25  38  3
26  44  6
27  78  6
28  37  3
29  79  5
48  3  6
54  3  5
30  47  6
33  83  5
43  53  6
57  59  5
55  6  6
60  6  6
65  70  6
68  71  5
56  7  5
61  7  5
75  77  6
58  8  5

$$$$
