Glycoside
GD105038
Name:
NoneFormula:
C21H23O9ClSSmiles:
CC(=O)OC[C@@H]1O[C@H](Sc2ccc(Cl)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.Sc1ccc(Cl)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.5 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 7 |
| MolWt: | 474.92 | Num_heavy_atoms: | 31 |
| TPSA: | 114.43 | NumAromaticRings: | 1 |
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 |
AD44032
Formula: C7H5ClS
Smiles:
Sc1ccc(Cl)cc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 0 |
| MolWt: | 144.63 | Num_heavy_atoms: | 8 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
