Glycoside
GD072090
Name:
NoneFormula:
C11H17O9NFClSSmiles:
O=C(N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)[C@H]1C[C@@]1(F)ClAglycone:
COS(O)(O)O.NC(=O)C1CC1(F)ClSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 381.76 | Num_heavy_atoms: | 23 |
| TPSA: | 168.94 | 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 |
AD33764
Formula: C5H5ONFCl
Smiles:
NC(=O)C1CC1(F)Cl| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 137.54 | Num_heavy_atoms: | 8 |
| TPSA: | 43.09 | NumAromaticRings: | 0 |
