Glycoside
GD033412
Name:
NoneFormula:
C17H16O8N5FSSmiles:
Nc1nc(O)c2ncn(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.Nc1nc(O)c2c(n1)[N]C=N2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.29 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 5 |
| MolWt: | 469.41 | Num_heavy_atoms: | 32 |
| TPSA: | 199.98 | NumAromaticRings: | 3 |
Unique Aglycone
AD00080
Formula: C5H4ON5
Smiles:
Nc1nc(O)c2c(n1)[N]C=N2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 0 |
| MolWt: | 150.12 | Num_heavy_atoms: | 11 |
| TPSA: | 98.49 | 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 |
