Glycoside
GD114709
Name:
1-[3-(acetyloxy)-5-[(3-bromopropa-1,2-dien-1-yl)oxy]oxolan-2-yl]-3-bromooct-5-en-2-yl acetateFormula:
C19H26O6Br2Smiles:
CCC=CCC(Br)C(CC1OC(OC=C=CBr)CC1OC(C)=O)OC(C)=OAglycone:
CCC=CCC(Br)C(C)OC(C)=O.OC=C=CBrSugarmoiety:
CC(=O)OC1CC(O)OC1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.63 |
| AlogP: | 4.51 | Num_rotatable_bonds: | 10 |
| MolWt: | 510.22 | Num_heavy_atoms: | 27 |
| TPSA: | 71.06 | 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 |
AD45226
Formula: C3H3OBr
Smiles:
OC=C=CBr| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.96 | Num_heavy_atoms: | 5 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
