Glycoside
GD093216
Name:
NoneFormula:
C22H18O7Cl2Smiles:
COC(=O)C[C@@](O)(C(=O)c1ccc(Cl)cc1)[C@H](O)[C@@H](O)C(=O)c1ccc(Cl)cc1Aglycone:
COC(C)=O.Clc1ccccc1.Clc1ccccc1Sugarmoiety:
O=C(O)C(O)C(O)C(O)(O)C(=O)OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.25 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 8 |
| MolWt: | 441.26 | Num_heavy_atoms: | 29 |
| TPSA: | 121.13 | NumAromaticRings: | 2 |
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 |
AD30320
Formula: C7H5Cl
Smiles:
Clc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.34 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.56 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
