Glycoside
GD028460
Name:
NoneFormula:
C21H24O6N7FSSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)[C@H](O)[C@H]1OAglycone:
CNC(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.86 | Num_rotatable_bonds: | 6 |
| MolWt: | 521.53 | Num_heavy_atoms: | 36 |
| TPSA: | 185.79 | NumAromaticRings: | 3 |
Unique Aglycone
AD00058
Formula: C5H4N5
Smiles:
Nc1ncnc2c1N=C[N]2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 0 |
| MolWt: | 134.12 | Num_heavy_atoms: | 10 |
| TPSA: | 78.26 | NumAromaticRings: | 1 |
AD18586
Formula: C12H15O3N2FS
Smiles:
CNC(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 3 |
| MolWt: | 286.33 | Num_heavy_atoms: | 19 |
| TPSA: | 66.48 | NumAromaticRings: | 1 |
