Glycoside
GD092717
Name:
N-[(5-{[benzyl(methyl)carbamoyl]methyl}-3,4-dihydroxyoxolan-2-yl)methyl]-4-methoxybenzamideFormula:
C23H28O6N2Smiles:
COc1ccc(C(=O)NC[C@H]2O[C@@H](CC(=O)N(C)Cc3ccccc3)[C@H](O)[C@@H]2O)cc1Aglycone:
CC(=O)N(C)Cc1ccccc1.CNC(=O)c1ccc(OC)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.39 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 8 |
| MolWt: | 428.49 | Num_heavy_atoms: | 31 |
| TPSA: | 108.33 | NumAromaticRings: | 2 |
Unique Aglycone
AD05627
Formula: C9H11O2N
Smiles:
CNC(=O)c1ccc(OC)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 165.19 | Num_heavy_atoms: | 12 |
| TPSA: | 38.33 | NumAromaticRings: | 1 |
AD19490
Formula: C10H13ON
Smiles:
CC(=O)N(C)Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.3 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 2 |
| MolWt: | 163.22 | Num_heavy_atoms: | 12 |
| TPSA: | 20.31 | NumAromaticRings: | 1 |
