Glycoside
GD014573
Name:
NoneFormula:
C21H22O6N7F3SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)[C@H](O)[C@H]1OAglycone:
CNS(=O)(=O)c1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 5 |
| MolWt: | 557.51 | Num_heavy_atoms: | 38 |
| 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 |
AD10695
Formula: C12H13O3N2F3S
Smiles:
CNS(=O)(=O)c1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.42 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 322.31 | Num_heavy_atoms: | 21 |
| TPSA: | 66.48 | NumAromaticRings: | 1 |
