Glycoside
GD039955
Name:
4-((1-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)-1h-1,2,3-triazol-4-yl)methoxy)benzyl-a-l-thiofucosideFormula:
C24H37O9N3SSmiles:
C[C@H]1O[C@H](SCc2ccc(OCc3cn(CCOCCOCCOCCO)nn3)cc2)[C@H](O)[C@H](O)[C@@H]1OAglycone:
OCCOCCOCCOCCn1cc(COc2ccc(CS)cc2)nn1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 17 |
| MolWt: | 543.64 | Num_heavy_atoms: | 37 |
| TPSA: | 157.78 | NumAromaticRings: | 2 |
Unique Aglycone
AD24608
Formula: C18H27O5N3S
Smiles:
OCCOCCOCCOCCn1cc(COc2ccc(CS)cc2)nn1| HBA: | 8 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.56 |
| AlogP: | 1.33 | Num_rotatable_bonds: | 15 |
| MolWt: | 397.5 | Num_heavy_atoms: | 27 |
| TPSA: | 87.86 | NumAromaticRings: | 2 |
