Glycoside
GD119478
Name:
2-(bromomethyl)-2-methoxy-4-(4-methylbenzoyloxy)-5-[(4-methylbenzoyloxy)methyl]oxolan-3-yl 4-methylbenzoateFormula:
C31H31O8BrSmiles:
COC1(CBr)OC(COC(=O)c2ccc(C)cc2)C(OC(=O)c2ccc(C)cc2)C1OC(=O)c1ccc(C)cc1Aglycone:
COC(=O)c1ccc(C)cc1.Cc1ccc(C(=O)O)cc1.Cc1ccc(C(=O)O)cc1Sugarmoiety:
COC1(CBr)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.32 |
| AlogP: | 5.36 | Num_rotatable_bonds: | 9 |
| MolWt: | 611.49 | Num_heavy_atoms: | 40 |
| TPSA: | 97.36 | NumAromaticRings: | 3 |
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 |
