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Acknowledgement
Show PDB Carb
β-D-Glcp1Oc
PDB CCD Name: b-OCTYLGLUCOSIDE
PDB CCD ID:
BOG
MoPCI carbohydrate ID: OC8_o_O_o_CO
InChI: 1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1
InChIKey: HEGSGKPQLMEBJL-RKQHYHRCSA-N
Cremer-Pople puckering
Chair
Boat
Skew
Half-chair
Envelop
4C1
1042
14B
2
1S3
8
1H2
0
1E
0
1C4
0
B14
1
3S1
14
2H1
7
E1
8
25B
3
5S1
3
2H3
10
2E
3
B25
9
1S5
3
3H2
0
E2
1
36B
7
6S2
14
3H4
0
3E
0
B36
5
2S6
2
4H3
0
E3
4
4H5
7
4E
4
5H4
0
E4
0
5H6
0
5E
3
6H5
16
E5
15
6H1
12
6E
9
1H6
0
E6
0
Molecular modelling of Carbohydrate ring puckering
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