Glycoside
GD002194
Name:
NoneFormula:
C13H15O5NSSmiles:
OC[C@@H]1O[C@H](c2nc3ccccc3s2)[C@H](O)[C@H](O)[C@H]1OAglycone:
c1ccc2scnc2c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.46 |
| AlogP: | -0.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 297.33 | Num_heavy_atoms: | 20 |
| TPSA: | 103.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD02122
Formula: C7H5NS
Smiles:
c1ccc2scnc2c1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.3 | Num_rotatable_bonds: | 0 |
| MolWt: | 135.19 | Num_heavy_atoms: | 9 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
