Glycoside
GD122249
Name:
3'-Sialyl-3-FucosyllactoseFormula:
C29H49O23NSmiles:
CC(O)=NC1C(O)CC(OC2C(O)C(CO)OC(OC(C(O)CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C=O)C2O)(C(=O)O)OC1C(O)C(O)COAglycone:
CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)COSugarmoiety:
CC1OC(OC(C(O)C=O)C(OC2OC(CO)C(O)C(O)C2O)C(O)CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 3 |
| HBD: | 15 | FractionCSP3: | 0.9 |
| AlogP: | -8.69 | Num_rotatable_bonds: | 17 |
| MolWt: | 779.7 | Num_heavy_atoms: | 53 |
| TPSA: | 405.33 | NumAromaticRings: | 0 |
Unique Aglycone
AD44972
Formula: C11H19O9N
Smiles:
CC(O)=NC1C(O)CC(O)(C(=O)O)OC1C(O)C(O)CO| HBA: | 10 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.82 |
| AlogP: | -3.03 | Num_rotatable_bonds: | 5 |
| MolWt: | 309.27 | Num_heavy_atoms: | 21 |
| TPSA: | 180.27 | NumAromaticRings: | 0 |
