Glycoside
GD082725
Name:
NoneFormula:
C13H18O10N2S2Smiles:
N#Cc1cccc(S(=O)(=O)N[C@H]2[C@@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]2O)c1Aglycone:
COS(O)(O)O.N#Cc1cccc(S(N)(=O)=O)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -1.2 | Num_rotatable_bonds: | 6 |
| MolWt: | 426.43 | Num_heavy_atoms: | 27 |
| TPSA: | 209.8 | 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 |
AD29341
Formula: C7H6O2N2S
Smiles:
N#Cc1cccc(S(N)(=O)=O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 182.2 | Num_heavy_atoms: | 12 |
| TPSA: | 83.95 | NumAromaticRings: | 1 |
