Glycoside
GD026537
Name:
NoneFormula:
C28H24O8N5FSmiles:
NC1=NC(c2cc[n+]([O-])cc2)(c2cccc(-c3cncn3O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c2)c2cccc(F)c21Aglycone:
NC1=NC(c2cc[n+]([O-])cc2)(c2cccc(-c3cncn3O)c2)c2cccc(F)c21Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.21 |
| AlogP: | -0.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 577.53 | Num_heavy_atoms: | 42 |
| TPSA: | 199.59 | NumAromaticRings: | 4 |
Unique Aglycone
AD17486
Formula: C22H16O2N5F
Smiles:
NC1=NC(c2cc[n+]([O-])cc2)(c2cccc(-c3cncn3O)c2)c2cccc(F)c21| HBA: | 7 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.05 |
| AlogP: | 2.57 | Num_rotatable_bonds: | 3 |
| MolWt: | 401.4 | Num_heavy_atoms: | 30 |
| TPSA: | 103.37 | NumAromaticRings: | 4 |
