Glycoside
GD038877
Name:
methyl 3-deoxy-2-o-(4-methylbenzoyl)-3-[(4-methylbenzoyl)amino]-beta-d-talopyranosideFormula:
C23H27O7NSmiles:
CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](NC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(C)cc1Aglycone:
Cc1ccc(C(=O)O)cc1.Cc1ccc(C(N)=O)cc1Sugarmoiety:
COC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 1.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 429.47 | Num_heavy_atoms: | 31 |
| TPSA: | 114.32 | 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 |
AD05357
Formula: C8H9ON
Smiles:
Cc1ccc(C(N)=O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.09 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
