Glycoside
GD060266
Name:
NoneFormula:
C15H16O5N2F2Smiles:
OC[C@H]1O[C@@H](O)[C@H](Nc2c(F)cc3ncccc3c2F)[C@@H](O)[C@@H]1OAglycone:
Nc1c(F)cc2ncccc2c1FSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 3 |
| MolWt: | 342.3 | Num_heavy_atoms: | 24 |
| TPSA: | 115.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD29784
Formula: C9H6N2F2
Smiles:
Nc1c(F)cc2ncccc2c1F| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.1 | Num_rotatable_bonds: | 0 |
| MolWt: | 180.16 | Num_heavy_atoms: | 13 |
| TPSA: | 38.91 | NumAromaticRings: | 2 |
