Glycoside
GD140236
Name:
3-bromo-1-{5-[(1-bromoprop-2-yn-1-yl)oxy]-3-hydroxyoxolan-2-yl}oct-5-en-2-yl acetateFormula:
C17H24O5Br2Smiles:
C#CC(Br)OC1CC(O)C(CC(OC(C)=O)C(Br)CC=CCC)O1Aglycone:
C#CC(O)Br.CCC=CCC(Br)C(C)OC(C)=OSugarmoiety:
OC1CC(O)C(O)O1Other Identifiers
Properties
| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 468.18 | Num_heavy_atoms: | 24 |
| TPSA: | 64.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD45225
Formula: C10H17O2Br
Smiles:
CCC=CCC(Br)C(C)OC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.7 |
| AlogP: | 3.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 249.15 | Num_heavy_atoms: | 13 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD56543
Formula: C3H3OBr
Smiles:
C#CC(O)Br| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.96 | Num_heavy_atoms: | 5 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
