9824918
  -OEChem-05072404212D

 60 62  0     1  0  0  0  0  0999 V2000
    8.0622    0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904    3.1550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0622   -1.8450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1962   -0.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9282   -1.3450    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9282   -0.3450    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -1.0350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278    0.6801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248    0.6801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8554    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    3.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.8819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5464    2.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933    2.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1664    3.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
 14  2  1  1  0  0  0
  2 16  1  0  0  0  0
 10  3  1  6  0  0  0
  3 40  1  0  0  0  0
 11  4  1  1  0  0  0
  4 41  1  0  0  0  0
 13  5  1  6  0  0  0
  5 42  1  0  0  0  0
  6 15  1  0  0  0  0
  6 21  1  0  0  0  0
  7 21  1  0  0  0  0
  7 30  1  0  0  0  0
  8 21  2  0  0  0  0
  9 29  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
 11 34  1  0  0  0  0
 12 15  1  1  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 18 23  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 22  1  0  0  0  0
 19 45  1  0  0  0  0
 20 24  1  0  0  0  0
 20 46  1  0  0  0  0
 22 24  2  0  0  0  0
 22 47  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 48  1  0  0  0  0
 25 27  1  0  0  0  0
 25 49  1  0  0  0  0
 26 28  2  0  0  0  0
 26 50  1  0  0  0  0
 27 29  2  0  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
 28 52  1  0  0  0  0
 30 31  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9824918

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
566

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4PAAAAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAAAAABQAAAGgAACAAADBSwmAMyDoAABgCIAiBCCAACCAAgIAAIiAAGCIgdNiKEMRqieCClwBEPqAfA4OwOIAAAAAAIAABAAAAAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(4-methoxyphenyl)methyl]phenoxy]tetrahydropyran-2-yl]methyl carbonate

> <PUBCHEM_IUPAC_CAS_NAME>
carbonic acid ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(4-methoxyphenyl)methyl]phenoxy]-2-oxanyl]methyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethyl [(2<I>R</I>,3<I>S</I>,4<I>S</I>,5<I>R</I>,6<I>S</I>)-3,4,5-trihydroxy-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxan-2-yl]methyl carbonate

> <PUBCHEM_IUPAC_NAME>
ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(4-methoxyphenyl)methyl]phenoxy]oxan-2-yl]methyl carbonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethyl [(2R,3S,4S,5R,6S)-6-[2-[(4-methoxyphenyl)methyl]phenoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl carbonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
carbonic acid ethyl [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-p-anisylphenoxy)tetrahydropyran-2-yl]methyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H28O9/c1-3-29-23(27)30-13-18-19(24)20(25)21(26)22(32-18)31-17-7-5-4-6-15(17)12-14-8-10-16(28-2)11-9-14/h4-11,18-22,24-26H,3,12-13H2,1-2H3/t18-,19-,20+,21-,22-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
QLXKHBNJTPICNF-QMCAAQAGSA-N

> <PUBCHEM_XLOGP3>
2.4

> <PUBCHEM_EXACT_MASS>
448.17333247

> <PUBCHEM_MOLECULAR_FORMULA>
C23H28O9

> <PUBCHEM_MOLECULAR_WEIGHT>
448.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC(=O)OCC1C(C(C(C(O1)OC2=CC=CC=C2CC3=CC=C(C=C3)OC)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC=C2CC3=CC=C(C=C3)OC)O)O)O

> <PUBCHEM_CACTVS_TPSA>
124

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
448.17333247

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
5

> <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>
12  15  5
16  17  8
16  19  8
17  20  8
19  22  8
14  2  5
20  24  8
22  24  8
23  25  8
23  26  8
25  27  8
26  28  8
27  29  8
28  29  8
10  3  6
11  4  5
13  5  6

$$$$