Glycoside
GD029062
Name:
NoneFormula:
C18H15O6N5F2SSmiles:
NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(C#Cc4cc(F)cc(F)c4)ncnc32)[C@H](O)[C@H]1OAglycone:
COS(N)(=O)=O.Fc1cc(F)cc(C#Cc2ncnc3c2N=C[N]3)c1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | -0.66 | Num_rotatable_bonds: | 4 |
| MolWt: | 467.41 | Num_heavy_atoms: | 32 |
| TPSA: | 162.68 | NumAromaticRings: | 3 |
Unique Aglycone
AD00036
Formula: CH5O3NS
Smiles:
COS(N)(=O)=O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 111.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.39 | NumAromaticRings: | 0 |
AD18945
Formula: C13H5N4F2
Smiles:
Fc1cc(F)cc(C#Cc2ncnc3c2N=C[N]3)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 0 |
| MolWt: | 255.21 | Num_heavy_atoms: | 19 |
| TPSA: | 52.24 | NumAromaticRings: | 2 |
