Glycoside
GD058545
Name:
NoneFormula:
C14H18O7N2Smiles:
C#CC(=O)N1CC2(C1)CN(C(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)C2Aglycone:
C#CC(=O)N1CC2(CN(C=O)C2)C1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -3.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 326.31 | Num_heavy_atoms: | 23 |
| TPSA: | 130.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD29251
Formula: C9H10O2N2
Smiles:
C#CC(=O)N1CC2(CN(C=O)C2)C1| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.56 |
| AlogP: | -1.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 40.62 | NumAromaticRings: | 0 |
