Glycoside
GD079076
Name:
NoneFormula:
C22H24O6Smiles:
CO[C@H]1C[C@@H](OC(=O)c2ccc(C)cc2)[C@H](COC(=O)c2ccc(C)cc2)O1Aglycone:
COC(=O)c1ccc(C)cc1.Cc1ccc(C(=O)O)cc1Sugarmoiety:
COC1COC(CO)O1Other Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.36 |
| AlogP: | 3.45 | Num_rotatable_bonds: | 6 |
| MolWt: | 384.43 | Num_heavy_atoms: | 28 |
| TPSA: | 71.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD00492
Formula: C8H8O2
Smiles:
Cc1ccc(C(=O)O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD04171
Formula: C9H10O2
Smiles:
COC(=O)c1ccc(C)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.22 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 1 |
| MolWt: | 150.18 | Num_heavy_atoms: | 11 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
