Glycoside
GD014536
Name:
NoneFormula:
C20H25O6N3Smiles:
CC(C)c1[nH]nc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Cc1ccccc1C#NAglycone:
CC(C)c1[nH]nc(O)c1Cc1ccccc1C#NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 6 |
| MolWt: | 403.44 | Num_heavy_atoms: | 29 |
| TPSA: | 151.85 | NumAromaticRings: | 2 |
Unique Aglycone
AD10674
Formula: C14H15ON3
Smiles:
CC(C)c1[nH]nc(O)c1Cc1ccccc1C#N| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 241.29 | Num_heavy_atoms: | 18 |
| TPSA: | 72.7 | NumAromaticRings: | 2 |
