Glycoside
GD025882
Name:
NoneFormula:
C17H17O8N6FSSmiles:
Nc1nc(O)c2nc(N)n(C3O[C@H](COC(=O)c4ccc(S(=O)(=O)F)cc4)[C@H](O)[C@H]3O)c2n1Aglycone:
COC(=O)c1ccc(S(=O)(=O)F)cc1.NC1=Nc2c(O)nc(N)nc2[N]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.29 |
| AlogP: | -1.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 484.42 | Num_heavy_atoms: | 33 |
| TPSA: | 226.0 | NumAromaticRings: | 3 |
Unique Aglycone
AD05069
Formula: C5H5ON6
Smiles:
NC1=Nc2c(O)nc(N)nc2[N]1| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | -1.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 165.14 | Num_heavy_atoms: | 12 |
| TPSA: | 124.51 | NumAromaticRings: | 1 |
AD08471
Formula: C8H7O4FS
Smiles:
COC(=O)c1ccc(S(=O)(=O)F)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 218.2 | Num_heavy_atoms: | 14 |
| TPSA: | 60.44 | NumAromaticRings: | 1 |
