Glycoside
GD000754
Name:
NoneFormula:
C16H20O4N3F3SSmiles:
CC[C@@H]1O[C@H](NC(=S)NN=Cc2ccc(C(F)(F)F)cc2)[C@H](O)[C@H](O)[C@H]1OAglycone:
NC(=S)NN=Cc1ccc(C(F)(F)F)cc1Sugarmoiety:
CCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 407.41 | Num_heavy_atoms: | 27 |
| TPSA: | 106.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD00802
Formula: C9H8N3F3S
Smiles:
NC(=S)NN=Cc1ccc(C(F)(F)F)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.11 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 247.24 | Num_heavy_atoms: | 16 |
| TPSA: | 50.41 | NumAromaticRings: | 1 |
