Glycoside
GD105596
Name:
NoneFormula:
C28H26O4Cl2Smiles:
Cc1ccc([C@@H]2O[C@@H](COCc3ccc(Cl)cc3)[C@@H](OCc3ccc(Cl)cc3)[C@H]2O)cc1Aglycone:
COCc1ccc(Cl)cc1.Cc1ccccc1.OCc1ccc(Cl)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 5.9 | Num_rotatable_bonds: | 8 |
| MolWt: | 473.4 | Num_heavy_atoms: | 32 |
| TPSA: | 47.92 | NumAromaticRings: | 3 |
Unique Aglycone
AD00252
Formula: C9H9OCl
Smiles:
COCc1ccc(Cl)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 156.61 | Num_heavy_atoms: | 10 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00253
Formula: C8H7OCl
Smiles:
OCc1ccc(Cl)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 1 |
| MolWt: | 142.59 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD00274
Formula: C7H8
Smiles:
Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 92.14 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
