Glycoside
GD052244
Name:
NoneFormula:
C15H21O5N3Smiles:
CC(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)c1ccc(C#N)c(N)n1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 4 |
| MolWt: | 323.35 | Num_heavy_atoms: | 23 |
| TPSA: | 138.86 | NumAromaticRings: | 1 |
Unique Aglycone
AD27118
Formula: C9H11N3
Smiles:
CC(C)c1ccc(C#N)c(N)n1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 1 |
| MolWt: | 161.21 | Num_heavy_atoms: | 12 |
| TPSA: | 62.7 | NumAromaticRings: | 1 |
