Glycoside
GD061144
Name:
NoneFormula:
C14H19O5N3SSmiles:
CCc1cc2c(N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)ncnc2s1Aglycone:
CCc1cc2c(N)ncnc2s1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 341.39 | Num_heavy_atoms: | 23 |
| TPSA: | 127.96 | NumAromaticRings: | 2 |
Unique Aglycone
AD30027
Formula: C8H9N3S
Smiles:
CCc1cc2c(N)ncnc2s1| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 1.84 | Num_rotatable_bonds: | 1 |
| MolWt: | 179.25 | Num_heavy_atoms: | 12 |
| TPSA: | 51.8 | NumAromaticRings: | 2 |
