Glycoside
GD075559
Name:
NoneFormula:
C13H16O7N3ClSSmiles:
O=S1(=O)CCc2nc(Cl)nc(N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)c21Aglycone:
Nc1nc(Cl)nc2c1S(=O)(=O)CC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 3 |
| MolWt: | 381.79 | Num_heavy_atoms: | 24 |
| TPSA: | 162.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD35013
Formula: C7H6O2N3ClS
Smiles:
Nc1nc(Cl)nc2c1S(=O)(=O)CC2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 219.65 | Num_heavy_atoms: | 13 |
| TPSA: | 85.94 | NumAromaticRings: | 1 |
