Glycoside
GD058606
Name:
NoneFormula:
C15H19O6N3Smiles:
C=CCOc1ccc(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)nc1C#NAglycone:
C=CCOc1ccc(N)nc1C#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 337.33 | Num_heavy_atoms: | 24 |
| TPSA: | 148.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD29273
Formula: C9H9ON3
Smiles:
C=CCOc1ccc(N)nc1C#N| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 175.19 | Num_heavy_atoms: | 13 |
| TPSA: | 71.93 | NumAromaticRings: | 1 |
