Glycoside
GD099338
Name:
NoneFormula:
C14H12O6N2F3ISmiles:
N#Cc1cc(I)c(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc1C(F)(F)FAglycone:
N#Cc1cc(I)c(N)cc1C(F)(F)FSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -0.24 | Num_rotatable_bonds: | 6 |
| MolWt: | 488.16 | Num_heavy_atoms: | 26 |
| TPSA: | 150.88 | NumAromaticRings: | 1 |
Unique Aglycone
AD42248
Formula: C8H4N2F3I
Smiles:
N#Cc1cc(I)c(N)cc1C(F)(F)F| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 0 |
| MolWt: | 312.03 | Num_heavy_atoms: | 14 |
| TPSA: | 49.81 | NumAromaticRings: | 1 |
