Glycoside
GD144106
Name:
N-[(3,4-dihydroxy-5-{[(2-methoxyethyl)carbamoyl]methyl}oxolan-2-yl)methyl]-3-fluorobenzamideFormula:
C17H23O6N2FSmiles:
COCCN=C(O)CC1OC(CN=C(O)c2cccc(F)c2)C(O)C1OAglycone:
CN=C(O)c1cccc(F)c1.COCCN=C(C)OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.53 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 8 |
| MolWt: | 370.38 | Num_heavy_atoms: | 26 |
| TPSA: | 124.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD45078
Formula: C8H8ONF
Smiles:
CN=C(O)c1cccc(F)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.76 | Num_rotatable_bonds: | 1 |
| MolWt: | 153.16 | Num_heavy_atoms: | 11 |
| TPSA: | 32.59 | NumAromaticRings: | 1 |
AD46272
Formula: C5H11O2N
Smiles:
COCCN=C(C)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 3 |
| MolWt: | 117.15 | Num_heavy_atoms: | 8 |
| TPSA: | 41.82 | NumAromaticRings: | 0 |
