Glycoside
GD116210
Name:
Nâ€(1â€Deoxyfructosâ€1â€Yl)â€Isoleucylâ€AspartateFormula:
C16H28O10N2Smiles:
CCC(C)C(NCC1(O)OCC(O)C(O)C1O)C(O)=NC(CC(=O)O)C(=O)OAglycone:
CCC(C)C(NC)C(O)=NC(CC(=O)O)C(=O)OSugarmoiety:
OC1COC(O)(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.81 |
| AlogP: | -2.32 | Num_rotatable_bonds: | 10 |
| MolWt: | 408.4 | Num_heavy_atoms: | 28 |
| TPSA: | 209.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD46107
Formula: C11H20O5N2
Smiles:
CCC(C)C(NC)C(O)=NC(CC(=O)O)C(=O)O| HBA: | 7 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.73 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 260.29 | Num_heavy_atoms: | 18 |
| TPSA: | 119.22 | NumAromaticRings: | 0 |
