Glycoside
GD031788
Name:
NoneFormula:
C12H16O3N5F3SSmiles:
NC1=NCN=C2C1N=CN2C1O[C@H](CSCC(F)(F)F)[C@H](O)[C@H]1OAglycone:
CSCC(F)(F)F.NC1=NCN=C2NC=NC12Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | -0.83 | Num_rotatable_bonds: | 4 |
| MolWt: | 367.35 | Num_heavy_atoms: | 24 |
| TPSA: | 116.03 | NumAromaticRings: | 0 |
Unique Aglycone
AD06009
Formula: C5H7N5
Smiles:
NC1=NCN=C2NC=NC12| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 0 |
| MolWt: | 137.15 | Num_heavy_atoms: | 10 |
| TPSA: | 75.13 | NumAromaticRings: | 0 |
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 |
