Glycoside
GD085022
Name:
NoneFormula:
C14H19O7N4ClSSmiles:
CCCSc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)n1Aglycone:
CCCSc1nc(N)c([N+](=O)[O-])c(Cl)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.69 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 7 |
| MolWt: | 410.84 | Num_heavy_atoms: | 26 |
| TPSA: | 171.1 | NumAromaticRings: | 1 |
Unique Aglycone
AD38062
Formula: C8H9O2N4ClS
Smiles:
CCCSc1nc(N)c([N+](=O)[O-])c(Cl)n1| HBA: | 6 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.43 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 4 |
| MolWt: | 248.69 | Num_heavy_atoms: | 15 |
| TPSA: | 94.94 | NumAromaticRings: | 1 |
