Glycoside
GD094150
Name:
NoneFormula:
C16H21O10NF2SSmiles:
O=C(CCC(=O)c1ccc(F)cc1F)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
COS(O)(O)O.NC(=O)CCC(=O)c1ccc(F)cc1FSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 8 |
| MolWt: | 457.4 | Num_heavy_atoms: | 30 |
| TPSA: | 186.01 | NumAromaticRings: | 1 |
Unique Aglycone
AD12993
Formula: CH6O4S
Smiles:
COS(O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 0.77 | Num_rotatable_bonds: | 1 |
| MolWt: | 114.12 | Num_heavy_atoms: | 6 |
| TPSA: | 69.92 | NumAromaticRings: | 0 |
AD34529
Formula: C10H9O2NF2
Smiles:
NC(=O)CCC(=O)c1ccc(F)cc1F| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.41 | Num_rotatable_bonds: | 4 |
| MolWt: | 213.18 | Num_heavy_atoms: | 15 |
| TPSA: | 60.16 | NumAromaticRings: | 1 |
