Glycoside
GD095730
Name:
NoneFormula:
C14H17O10N2ClS2Smiles:
N#Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(O)O)[C@@H](O)[C@@H]1OAglycone:
COS(O)(O)O.N#Cc1ccc(Cl)cc1S(N)(=O)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 7 | FractionCSP3: | 0.46 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 6 |
| MolWt: | 460.87 | Num_heavy_atoms: | 28 |
| 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 |
AD35268
Formula: C8H5O2N2ClS
Smiles:
N#Cc1ccc(Cl)cc1S(N)(=O)=O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 216.65 | Num_heavy_atoms: | 13 |
| TPSA: | 83.95 | NumAromaticRings: | 1 |
