Glycoside
GD089983
Name:
NoneFormula:
C15H21O9NF2SSmiles:
CC(F)(F)c1ccc(C(=O)N[C@H]2[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)cc1Aglycone:
CC(F)(F)c1ccc(C(N)=O)cc1.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.53 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 429.39 | 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 |
AD29628
Formula: C9H9ONF2
Smiles:
CC(F)(F)c1ccc(C(N)=O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 185.17 | Num_heavy_atoms: | 13 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
