Glycoside
GD101095
Name:
NoneFormula:
C18H24O7NF3SSmiles:
C[C@@H]1O[C@@H](OCCNC(=O)c2ccccc2SC[C@@H](O)C(F)(F)F)[C@@H](O)[C@H](O)[C@@H]1OAglycone:
O=C(NCCO)c1ccccc1SCC(O)C(F)(F)FSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.61 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 455.45 | Num_heavy_atoms: | 30 |
| TPSA: | 128.48 | NumAromaticRings: | 1 |
Unique Aglycone
AD42729
Formula: C12H14O3NF3S
Smiles:
O=C(NCCO)c1ccccc1SCC(O)C(F)(F)F| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 6 |
| MolWt: | 309.31 | Num_heavy_atoms: | 20 |
| TPSA: | 69.56 | NumAromaticRings: | 1 |
