Glycoside
GD058527
Name:
NoneFormula:
C14H15O7N2FSmiles:
COc1cc(C#N)c(F)cc1NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
COc1cc(C#N)c(F)cc1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -1.71 | Num_rotatable_bonds: | 7 |
| MolWt: | 342.28 | Num_heavy_atoms: | 24 |
| TPSA: | 160.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD29245
Formula: C8H7ON2F
Smiles:
COc1cc(C#N)c(F)cc1N| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.29 | Num_rotatable_bonds: | 1 |
| MolWt: | 166.16 | Num_heavy_atoms: | 12 |
| TPSA: | 59.04 | NumAromaticRings: | 1 |
