Glycoside
GD028536
Name:
NoneFormula:
C12H14O3N5F3SSmiles:
Nc1ncnc2c1ncn2C1OC(CSCC(F)(F)F)C(O)C1OAglycone:
CSCC(F)(F)F.Nc1ncnc2c1N=C[N]2Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 365.34 | Num_heavy_atoms: | 24 |
| TPSA: | 119.31 | NumAromaticRings: | 2 |
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 |
AD18632
Formula: C3H5F3S
Smiles:
CSCC(F)(F)F| HBA: | 0 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 1.0 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 130.13 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 0 |
