Glycoside
GD061802
Name:
NoneFormula:
C16H23O5N3Smiles:
CC(C)(C)c1ccc(C#N)c(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)n1Aglycone:
CC(C)(C)c1ccc(C#N)c(N)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -0.54 | Num_rotatable_bonds: | 3 |
| MolWt: | 337.38 | Num_heavy_atoms: | 24 |
| TPSA: | 138.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD30225
Formula: C10H13N3
Smiles:
CC(C)(C)c1ccc(C#N)c(N)n1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 0 |
| MolWt: | 175.23 | Num_heavy_atoms: | 13 |
| TPSA: | 62.7 | NumAromaticRings: | 1 |
