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M  END
> <PUBCHEM_COMPOUND_CID>
162862470

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
2350

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
25

> <PUBCHEM_CACTVS_HBOND_DONOR>
14

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
13

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB8PgAAAAAAAAAAAAAAAAAAAAAAAAA0aNGiQAAAAADAAAAAGgAACAAADxSwgAMCCAAABgCIAiDSCAAAAAAgAAAACAEAAAgREBIAAQAiQAAFgAAPAAPI6PyPgAAAAAAAAADAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
10-[3-[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

> <PUBCHEM_IUPAC_CAS_NAME>
10-[[3-[[4-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxymethyl]-2-oxanyl]oxy]-2-oxanyl]oxy]-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-4,5-dihydroxy-2-oxanyl]oxy]-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
10-[3-[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6<I>a</I>,6<I>b</I>,9,9,12<I>a</I>-heptamethyl-1,3,4,5,6,6<I>a</I>,7,8,8<I>a</I>,10,11,12,13,14<I>b</I>-tetradecahydropicene-4<I>a</I>-carboxylic acid

> <PUBCHEM_IUPAC_NAME>
10-[3-[4-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
10-[3-[4-[6-(hydroxymethyl)-5-[6-[[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
10-[3-[4-[3,4-dihydroxy-6-methylol-5-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C59H96O25/c1-24-34(62)38(66)41(69)48(77-24)76-23-30-37(65)39(67)42(70)49(80-30)82-45-29(21-60)79-50(43(71)40(45)68)83-46-35(63)25(2)78-51(44(46)72)84-47-36(64)28(61)22-75-52(47)81-33-13-14-56(7)31(55(33,5)6)12-15-58(9)32(56)11-10-26-27-20-54(3,4)16-18-59(27,53(73)74)19-17-57(26,58)8/h10,24-25,27-52,60-72H,11-23H2,1-9H3,(H,73,74)

> <PUBCHEM_IUPAC_INCHIKEY>
QZULGCOOYJBDJZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.5

> <PUBCHEM_EXACT_MASS>
1204.62406854

> <PUBCHEM_MOLECULAR_FORMULA>
C59H96O25

> <PUBCHEM_MOLECULAR_WEIGHT>
1205.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)O)OC4C(C(OC(C4O)OC5C(C(COC5OC6CCC7(C(C6(C)C)CCC8(C7CC=C9C8(CCC1(C9CC(CC1)(C)C)C(=O)O)C)C)C)O)O)C)O)CO)O)O)O)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3C(OC(C(C3O)O)OC4C(C(OC(C4O)OC5C(C(COC5OC6CCC7(C(C6(C)C)CCC8(C7CC=C9C8(CCC1(C9CC(CC1)(C)C)C(=O)O)C)C)C)O)O)C)O)CO)O)O)O)O)O)O

> <PUBCHEM_CACTVS_TPSA>
393

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1204.62406854

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
84

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
32

> <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>
41  1  3
56  1  3
63  10  3
67  10  3
65  11  3
68  13  3
69  14  3
71  15  3
73  15  3
74  18  3
75  19  3
77  20  3
79  21  3
80  23  3
81  24  3
82  25  3
26  40  3
27  35  3
28  43  3
29  46  3
30  33  3
37  47  3
39  53  3
57  5  3
61  5  3
58  6  3
64  66  3
60  7  3
70  72  3
76  78  3
83  84  3
62  9  3

$$$$
