Glycoside
GD071944
Name:
NoneFormula:
C13H21O9NS2Smiles:
Cc1scc(C(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1CAglycone:
COS(O)(O)O.Cc1scc(C(N)=O)c1CSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.62 |
| AlogP: | 0.06 | Num_rotatable_bonds: | 5 |
| MolWt: | 399.44 | Num_heavy_atoms: | 25 |
| 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 |
AD26075
Formula: C7H9ONS
Smiles:
Cc1scc(C(N)=O)c1C| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 155.22 | Num_heavy_atoms: | 10 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
