Glycoside
GD104218
Name:
N-{[3,4-dihydroxy-5-({3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}methyl)oxolan-2-yl]methyl}furan-2-carboxamideFormula:
C20H18O7N3F3Smiles:
O=C(NC[C@H]1O[C@@H](Cc2nc(-c3ccc(OC(F)(F)F)cc3)no2)[C@H](O)[C@@H]1O)c1ccco1Aglycone:
CNC(=O)c1ccco1.Cc1nc(-c2ccc(OC(F)(F)F)cc2)no1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.35 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 7 |
| MolWt: | 469.37 | Num_heavy_atoms: | 33 |
| TPSA: | 140.08 | NumAromaticRings: | 3 |
Unique Aglycone
AD18098
Formula: C6H7O2N
Smiles:
CNC(=O)c1ccco1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 0.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 42.24 | NumAromaticRings: | 1 |
AD38152
Formula: C10H7O2N2F3
Smiles:
Cc1nc(-c2ccc(OC(F)(F)F)cc2)no1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 2.94 | Num_rotatable_bonds: | 2 |
| MolWt: | 244.17 | Num_heavy_atoms: | 17 |
| TPSA: | 48.15 | NumAromaticRings: | 2 |
