Glycoside
GD080653
Name:
NoneFormula:
C13H16O9N2FClSSmiles:
O=C(N[C@H]1[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1O)c1c(F)cncc1ClAglycone:
COS(O)(O)O.NC(=O)c1c(F)cncc1ClSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.5 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 5 |
| MolWt: | 418.78 | Num_heavy_atoms: | 26 |
| TPSA: | 181.83 | 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 |
AD27485
Formula: C7H4ON2FCl
Smiles:
NC(=O)c1c(F)cncc1Cl| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 174.56 | Num_heavy_atoms: | 11 |
| TPSA: | 55.98 | NumAromaticRings: | 1 |
