Glycoside
GD093381
Name:
NoneFormula:
C22H18O6Cl2Smiles:
CO[C@H]1C[C@H](OC(=O)c2ccc(Cl)cc2)[C@@H](COC(=O)c2ccc(Cl)cc2)O1Aglycone:
COC(=O)c1ccc(Cl)cc1.O=C(O)c1ccc(Cl)cc1Sugarmoiety:
COC1COC(CO)O1Other Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 4.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 425.26 | Num_heavy_atoms: | 28 |
| TPSA: | 71.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD02410
Formula: C8H5O2Cl
Smiles:
O=C(O)c1ccc(Cl)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 2.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 156.57 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD14758
Formula: C9H7O2Cl
Smiles:
COC(=O)c1ccc(Cl)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.59 | Num_heavy_atoms: | 11 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
