Glycoside
GD033992
Name:
NoneFormula:
C15H18O9ClBrSmiles:
CC(=O)OCC1OC(Br)C(OC(C)=O)C(OC(=O)CCl)C1OC(C)=OAglycone:
COC(C)=O.O=C(O)CClSugarmoiety:
CC(=O)OC1C(O)OC(Br)C(OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.71 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 6 |
| MolWt: | 445.65 | Num_heavy_atoms: | 25 |
| TPSA: | 114.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD21659
Formula: C3H3O2Cl
Smiles:
O=C(O)CCl| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 0.31 | Num_rotatable_bonds: | 1 |
| MolWt: | 94.5 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
