Glycoside
GD105588
Name:
NoneFormula:
C24H20O5Cl4Smiles:
CO[C@@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@H]1OAglycone:
COCc1ccc(Cl)cc1Cl.OCc1ccc(Cl)cc1ClSugarmoiety:
COC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 5.13 | Num_rotatable_bonds: | 8 |
| MolWt: | 482.19 | Num_heavy_atoms: | 29 |
| TPSA: | 57.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD35490
Formula: C9H6OCl2
Smiles:
OCc1ccc(Cl)cc1Cl| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 1 |
| MolWt: | 177.03 | Num_heavy_atoms: | 10 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD44050
Formula: C10H8OCl2
Smiles:
COCc1ccc(Cl)cc1Cl| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 2 |
| MolWt: | 191.06 | Num_heavy_atoms: | 11 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
