Glycoside
GD017129
Name:
NoneFormula:
C15H17O5N2F13SSmiles:
OCC1OC(NC(=S)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)C(O)C1OAglycone:
NC(=S)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)FSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 9 |
| MolWt: | 584.35 | Num_heavy_atoms: | 36 |
| TPSA: | 114.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD12265
Formula: C9H7N2F13S
Smiles:
NC(=S)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F| HBA: | 2 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 0.89 |
| AlogP: | 3.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 422.21 | Num_heavy_atoms: | 25 |
| TPSA: | 38.05 | NumAromaticRings: | 0 |
