Glycoside
GD131837
Name:
N-{[3,4-dihydroxy-5-({[(4-methoxyphenyl)methyl]carbamoyl}methyl)oxolan-2-yl]methyl}-3-fluorobenzamideFormula:
C22H25O6N2FSmiles:
COc1ccc(CN=C(O)CC2OC(CN=C(O)c3cccc(F)c3)C(O)C2O)cc1Aglycone:
CN=C(O)c1cccc(F)c1.COc1ccc(CN=C(C)O)cc1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.36 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 8 |
| MolWt: | 432.45 | Num_heavy_atoms: | 31 |
| TPSA: | 124.1 | NumAromaticRings: | 2 |
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 |
AD47632
Formula: C10H13O2N
Smiles:
COc1ccc(CN=C(C)O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 179.22 | Num_heavy_atoms: | 13 |
| TPSA: | 41.82 | NumAromaticRings: | 1 |
