Glycoside
GD094181
Name:
NoneFormula:
C16H29O10NF2SSmiles:
COCCC1(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)CCC(F)(F)CC1Aglycone:
COCCC1(C(N)=O)CCC(F)(F)CC1.COS(O)(O)OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 465.47 | Num_heavy_atoms: | 30 |
| TPSA: | 178.17 | NumAromaticRings: | 0 |
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 |
AD40497
Formula: C10H17O2NF2
Smiles:
COCCC1(C(N)=O)CCC(F)(F)CC1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 221.25 | Num_heavy_atoms: | 15 |
| TPSA: | 52.32 | NumAromaticRings: | 0 |
