Glycoside
GD087188
Name:
NoneFormula:
C14H19O10NF2SSmiles:
COc1cc(F)c(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc1FAglycone:
COS(O)(O)O.COc1cc(F)c(C(N)=O)cc1FSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 431.37 | Num_heavy_atoms: | 28 |
| TPSA: | 178.17 | 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 |
AD28887
Formula: C8H7O2NF2
Smiles:
COc1cc(F)c(C(N)=O)cc1F| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 187.15 | Num_heavy_atoms: | 13 |
| TPSA: | 52.32 | NumAromaticRings: | 1 |
