Glycoside
GD099439
Name:
NoneFormula:
C19H20O10NCl3Smiles:
CC(=O)OC[C@H]1O[C@H](NC(=O)C(Cl)(Cl)Cl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.NC(=O)C(Cl)(Cl)ClSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.69 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 6 |
| MolWt: | 492.69 | Num_heavy_atoms: | 30 |
| TPSA: | 143.53 | 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 |
AD42277
Formula: C5H2ONCl3
Smiles:
NC(=O)C(Cl)(Cl)Cl| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.84 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.4 | Num_heavy_atoms: | 7 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
