Glycoside
GD129014
Name:
2-[5-(acetamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamideFormula:
C16H21O5N2FSmiles:
CC(O)=NCC1OC(CC(O)=NCc2ccc(F)cc2)C(O)C1OAglycone:
CC(O)=NCc1ccc(F)cc1.CN=C(C)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.5 |
| AlogP: | 1.14 | Num_rotatable_bonds: | 6 |
| MolWt: | 340.35 | Num_heavy_atoms: | 24 |
| TPSA: | 114.87 | NumAromaticRings: | 1 |
Unique Aglycone
AD45426
Formula: C9H10ONF
Smiles:
CC(O)=NCc1ccc(F)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 2 |
| MolWt: | 167.18 | Num_heavy_atoms: | 12 |
| TPSA: | 32.59 | 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 |
