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Acknowledgement
Show PDB Carb
β-D-Glcp2Oc
PDB CCD Name: B-2-OCTYLGLUCOSIDE
PDB CCD ID:
BGL
MoPCI carbohydrate ID: O_oc8_O_o_CO
InChI: 1S/C14H28O6/c1-2-3-4-5-6-7-8-19-13-12(17)11(16)10(9-15)20-14(13)18/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1
InChIKey: BVHPDIWLWHHJPD-RKQHYHRCSA-N
Cremer-Pople puckering
Chair
Boat
Skew
Half-chair
Envelop
4C1
16
14B
0
1S3
1
1H2
0
1E
0
1C4
0
B14
0
3S1
1
2H1
0
E1
0
25B
0
5S1
0
2H3
0
2E
0
B25
0
1S5
0
3H2
0
E2
0
36B
0
6S2
0
3H4
0
3E
0
B36
0
2S6
1
4H3
1
E3
0
4H5
0
4E
0
5H4
0
E4
0
5H6
0
5E
0
6H5
0
E5
0
6H1
0
6E
0
1H6
0
E6
0
Molecular modelling of Carbohydrate ring puckering
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