Glycoside
GD009003
Name:
NoneFormula:
C16H19O5N2F13S2Smiles:
OCC1OC(NC(=S)NCSCCC(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)NCSCCC(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: | 0.94 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 11 |
| MolWt: | 630.45 | Num_heavy_atoms: | 38 |
| TPSA: | 114.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD07115
Formula: C10H9N2F13S2
Smiles:
NC(=S)NCSCCC(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: | 0.9 |
| AlogP: | 4.64 | Num_rotatable_bonds: | 9 |
| MolWt: | 468.3 | Num_heavy_atoms: | 27 |
| TPSA: | 38.05 | NumAromaticRings: | 0 |
