Glycoside
GD091605
Name:
NoneFormula:
C13H12O6N2FISmiles:
O=C(c1nc(-c2ccc(I)cc2F)no1)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
Fc1cc(I)ccc1-c1ncon1Sugarmoiety:
O=C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.31 |
| AlogP: | -0.26 | Num_rotatable_bonds: | 6 |
| MolWt: | 438.15 | Num_heavy_atoms: | 23 |
| TPSA: | 136.91 | NumAromaticRings: | 2 |
Unique Aglycone
AD39949
Formula: C8H4ON2FI
Smiles:
Fc1cc(I)ccc1-c1ncon1| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 290.04 | Num_heavy_atoms: | 13 |
| TPSA: | 38.92 | NumAromaticRings: | 2 |
