Glycoside
GD027491
Name:
NoneFormula:
C22H20O6N5FSmiles:
O[C@H]1[C@@H](O)[C@@H](O)[C@H](Cn2cc(-c3nc(-c4ccc(F)cc4)c(-c4ccncc4)o3)nn2)O[C@H]1OAglycone:
Cn1cc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)o2)nn1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.27 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 5 |
| MolWt: | 469.43 | Num_heavy_atoms: | 34 |
| TPSA: | 159.78 | NumAromaticRings: | 4 |
Unique Aglycone
AD18066
Formula: C17H12ON5F
Smiles:
Cn1cc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)o2)nn1| HBA: | 6 | RingCount: | 4 |
| HBD: | 0 | FractionCSP3: | 0.06 |
| AlogP: | 3.34 | Num_rotatable_bonds: | 3 |
| MolWt: | 321.32 | Num_heavy_atoms: | 24 |
| TPSA: | 69.63 | NumAromaticRings: | 4 |
