Glycoside
GD068647
Name:
NoneFormula:
C14H20O5N3ClSSmiles:
CCCSc1nc(Cl)cc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)n1Aglycone:
CCCSc1nc(N)cc(Cl)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -0.16 | Num_rotatable_bonds: | 6 |
| MolWt: | 365.84 | Num_heavy_atoms: | 23 |
| TPSA: | 127.96 | NumAromaticRings: | 1 |
Unique Aglycone
AD32534
Formula: C8H10N3ClS
Smiles:
CCCSc1nc(N)cc(Cl)n1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 2.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 203.7 | Num_heavy_atoms: | 12 |
| TPSA: | 51.8 | NumAromaticRings: | 1 |
