Glycoside
GD080183
Name:
NoneFormula:
C11H19O10NS3Smiles:
Cc1ccc(S(=O)(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)s1Aglycone:
COS(O)(O)O.Cc1ccc(S(N)(=O)=O)s1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.64 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 6 |
| MolWt: | 421.47 | Num_heavy_atoms: | 25 |
| 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 |
AD28811
Formula: C5H7O2NS2
Smiles:
Cc1ccc(S(N)(=O)=O)s1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 177.25 | Num_heavy_atoms: | 10 |
| TPSA: | 60.16 | NumAromaticRings: | 1 |
