Glycoside
GD058529
Name:
NoneFormula:
C15H20O7N2Smiles:
C#CC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OAglycone:
C#CC(=O)N1CC2CCC(C1)N2C=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | -3.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 340.33 | Num_heavy_atoms: | 24 |
| TPSA: | 130.77 | NumAromaticRings: | 0 |
Unique Aglycone
AD29248
Formula: C10H12O2N2
Smiles:
C#CC(=O)N1CC2CCC(C1)N2C=O| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.6 |
| AlogP: | -0.55 | Num_rotatable_bonds: | 1 |
| MolWt: | 192.22 | Num_heavy_atoms: | 14 |
| TPSA: | 40.62 | NumAromaticRings: | 0 |
