Glycoside
GD145960
Name:
N-{[5-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-3,4-dihydroxyoxolan-2-yl]methyl}benzamideFormula:
C21H23O5N2FSmiles:
OC(CC1OC(CN=C(O)c2ccccc2)C(O)C1O)=NCc1ccc(F)cc1Aglycone:
CC(O)=NCc1ccc(F)cc1.CN=C(O)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 402.42 | Num_heavy_atoms: | 29 |
| TPSA: | 114.87 | NumAromaticRings: | 2 |
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 |
AD47599
Formula: C8H9ON
Smiles:
CN=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 135.17 | Num_heavy_atoms: | 10 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
