Glycoside
GD126400
Name:
N-benzyl-2-[5-(acetamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-methylacetamideFormula:
C17H24O5N2Smiles:
CC(O)=NCC1OC(CC(=O)N(C)Cc2ccccc2)C(O)C1OAglycone:
CC(=O)N(C)Cc1ccccc1.CN=C(C)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 6 |
| MolWt: | 336.39 | Num_heavy_atoms: | 24 |
| TPSA: | 102.59 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD48116
Formula: C3H7ON
Smiles:
CN=C(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 32.59 | NumAromaticRings: | 0 |
