Glycoside
GD058616
Name:
NoneFormula:
C15H21O6N3Smiles:
COc1nc(C)c(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(C)c1C#NAglycone:
COc1nc(C)c(N)c(C)c1C#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 4 |
| MolWt: | 339.35 | Num_heavy_atoms: | 24 |
| TPSA: | 148.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD29278
Formula: C9H11ON3
Smiles:
COc1nc(C)c(N)c(C)c1C#N| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.16 | Num_rotatable_bonds: | 1 |
| MolWt: | 177.21 | Num_heavy_atoms: | 13 |
| TPSA: | 71.93 | NumAromaticRings: | 1 |
