Glycoside
GD070662
Name:
NoneFormula:
C16H16O4N3ClSSmiles:
Nc1nc(=S)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1-c1ccccc1ClAglycone:
Nc1nc(=S)[nH]cc1-c1ccccc1ClSugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.33 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 3 |
| MolWt: | 369.83 | Num_heavy_atoms: | 24 |
| TPSA: | 113.76 | NumAromaticRings: | 2 |
Unique Aglycone
AD33468
Formula: C11H8N3ClS
Smiles:
Nc1nc(=S)[nH]cc1-c1ccccc1Cl| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 1 |
| MolWt: | 237.72 | Num_heavy_atoms: | 15 |
| TPSA: | 54.7 | NumAromaticRings: | 2 |
