Glycoside
GD054451
Name:
NoneFormula:
C13H16O5N3ClSSmiles:
OC[C@H]1O[C@@H](O)[C@H](Nc2nc(Cl)nc3c2SCC3)[C@@H](O)[C@@H]1OAglycone:
Nc1nc(Cl)nc2c1SCC2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 349.8 | Num_heavy_atoms: | 22 |
| TPSA: | 127.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD27759
Formula: C7H6N3ClS
Smiles:
Nc1nc(Cl)nc2c1SCC2| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 0 |
| MolWt: | 187.65 | Num_heavy_atoms: | 11 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
