Glycoside
GD017600
Name:
NoneFormula:
C21H24O4N7F3SSmiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCCCNC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](O)[C@H]1OAglycone:
CSCCCNC(=O)Nc1ccc(C(F)(F)F)cc1.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 1.99 | Num_rotatable_bonds: | 8 |
| MolWt: | 527.53 | Num_heavy_atoms: | 36 |
| TPSA: | 160.44 | 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 |
AD12544
Formula: C12H15ON2F3S
Smiles:
CSCCCNC(=O)Nc1ccc(C(F)(F)F)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.42 |
| AlogP: | 3.58 | Num_rotatable_bonds: | 5 |
| MolWt: | 292.33 | Num_heavy_atoms: | 19 |
| TPSA: | 41.13 | NumAromaticRings: | 1 |
