Glycoside
GD024236
Name:
NoneFormula:
C16H18O7N2Smiles:
C#CCOc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2OC)c(=O)n(CC#C)c1=OAglycone:
C#CCOc1c[nH]c(=O)n(CC#C)c1=OSugarmoiety:
COC1C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | -2.08 | Num_rotatable_bonds: | 6 |
| MolWt: | 350.33 | Num_heavy_atoms: | 25 |
| TPSA: | 112.15 | NumAromaticRings: | 1 |
Unique Aglycone
AD16197
Formula: C10H8O3N2
Smiles:
C#CCOc1c[nH]c(=O)n(CC#C)c1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.2 |
| AlogP: | -0.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 204.18 | Num_heavy_atoms: | 15 |
| TPSA: | 64.09 | NumAromaticRings: | 1 |
