Glycoside
GD044163
Name:
NoneFormula:
C12H20O5N2Smiles:
CC(=O)NC[C@H]1O[C@@H](CC(=O)NC2CC2)[C@H](O)[C@@H]1OAglycone:
CC(=O)NC1CC1.CNC(C)=OSugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.83 |
| AlogP: | -1.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 272.3 | Num_heavy_atoms: | 19 |
| TPSA: | 107.89 | NumAromaticRings: | 0 |
Unique Aglycone
AD01019
Formula: C3H7ON
Smiles:
CNC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.25 | Num_rotatable_bonds: | 0 |
| MolWt: | 73.09 | Num_heavy_atoms: | 5 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
AD19521
Formula: C5H9ON
Smiles:
CC(=O)NC1CC1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 99.13 | Num_heavy_atoms: | 7 |
| TPSA: | 29.1 | NumAromaticRings: | 0 |
