Glycoside
GD086525
Name:
NoneFormula:
C14H22O10NFS2Smiles:
O=S(=O)(CCc1ccc(F)cc1)N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
COS(O)(O)O.NS(=O)(=O)CCc1ccc(F)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -0.75 | Num_rotatable_bonds: | 8 |
| MolWt: | 447.46 | Num_heavy_atoms: | 28 |
| 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 |
AD30397
Formula: C8H10O2NFS
Smiles:
NS(=O)(=O)CCc1ccc(F)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 3 |
| MolWt: | 203.24 | Num_heavy_atoms: | 13 |
| TPSA: | 60.16 | NumAromaticRings: | 1 |
