Glycoside
GD068101
Name:
NoneFormula:
C16H20O6NFSSmiles:
O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1)[C@H]1C[C@@H]1FAglycone:
O=C(Nc1ccc(S)cc1)C1CC1FSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.56 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 5 |
| MolWt: | 373.4 | Num_heavy_atoms: | 25 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD32303
Formula: C10H10ONFS
Smiles:
O=C(Nc1ccc(S)cc1)C1CC1F| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 211.26 | Num_heavy_atoms: | 14 |
| TPSA: | 29.1 | NumAromaticRings: | 1 |
