Glycoside
GD086752
Name:
NoneFormula:
C14H18O9NF3SSmiles:
Cc1c(F)c(F)cc(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1FAglycone:
COS(O)(O)O.Cc1c(F)c(F)cc(C(N)=O)c1FSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | 0.1 | Num_rotatable_bonds: | 5 |
| MolWt: | 433.36 | Num_heavy_atoms: | 28 |
| TPSA: | 168.94 | 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 |
AD31856
Formula: C8H6ONF3
Smiles:
Cc1c(F)c(F)cc(C(N)=O)c1F| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 1 |
| MolWt: | 189.14 | Num_heavy_atoms: | 13 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
