Glycoside
GD136843
Name:
N-{[5-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-3,4-dihydroxyoxolan-2-yl]methyl}-2-methoxyacetamideFormula:
C17H23O6N2FSmiles:
COCC(O)=NCC1OC(CC(O)=NCc2ccc(F)cc2)C(O)C1OAglycone:
CC(O)=NCc1ccc(F)cc1.CN=C(O)COCSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 8 |
| MolWt: | 370.38 | Num_heavy_atoms: | 26 |
| TPSA: | 124.1 | 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 |
AD47644
Formula: C4H9O2N
Smiles:
CN=C(O)COC| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 2 |
| MolWt: | 103.12 | Num_heavy_atoms: | 7 |
| TPSA: | 41.82 | NumAromaticRings: | 0 |
