Glycoside
GD157161
Name:
N(4)-{N-Acetyl-Beta-D-Glucosaminyl-(1->2)-Alpha-D-Mannosyl-(1->3)-[N-Acetyl-Beta-D-Glucosaminyl-(1->2)-Alpha-D-Mannosyl-(1->6)]-Beta-D-Mannosyl-(1->4)-N-Acetyl-Beta-D-Glucosaminyl-(1->4)-[Alpha-L-Fucosyl-(1->6)]-N-Acetyl-Beta-D-Glucosaminyl}-L-AsparagineFormula:
C60H100O42N6Smiles:
CC(O)=NC1C(N=C(O)CC(N)C(=O)O)OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4N=C(C)O)C(O)C(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4N=C(C)O)C3O)C(O)C2N=C(C)O)C1OAglycone:
CC(O)=NC1C(N=C(O)CC(N)C(=O)O)OC(CO)C(O)C1OSugarmoiety:
CC(O)=NC1C(O)OC(CO)C(OC2OC(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3N=C(C)O)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3N=C(C)O)C2O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 48 | RingCount: | 8 |
| HBD: | 28 | FractionCSP3: | 0.9 |
| AlogP: | -13.72 | Num_rotatable_bonds: | 29 |
| MolWt: | 1577.46 | Num_heavy_atoms: | 108 |
| TPSA: | 769.32 | NumAromaticRings: | 0 |
Unique Aglycone
AD62163
Formula: C12H21O8N3
Smiles:
CC(O)=NC1C(N=C(O)CC(N)C(=O)O)OC(CO)C(O)C1O| HBA: | 11 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.75 |
| AlogP: | -2.47 | Num_rotatable_bonds: | 6 |
| MolWt: | 335.31 | Num_heavy_atoms: | 23 |
| TPSA: | 198.42 | NumAromaticRings: | 0 |
Sugarmoiety
SD10546
CC(O)=NC1C(O)OC(CO)C(OC2OC(COC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3N=C(C)O)C(O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3N=C(C)O)C2O)C1O.CC1OC(O)C(O)C(O)C1O