Glycoside
GD105942
Name:
NoneFormula:
C21H36O11N4Smiles:
CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[C@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)C(C)CAglycone:
CC(O)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)O)C(C)CSugarmoiety:
CC(=O)NC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 1 |
| HBD: | 9 | FractionCSP3: | 0.76 |
| AlogP: | -3.69 | Num_rotatable_bonds: | 13 |
| MolWt: | 520.54 | Num_heavy_atoms: | 36 |
| TPSA: | 246.84 | NumAromaticRings: | 0 |
Unique Aglycone
AD44092
Formula: C13H23O6N3
Smiles:
CC(O)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)O)C(C)C| HBA: | 9 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.69 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 317.34 | Num_heavy_atoms: | 22 |
| TPSA: | 158.82 | NumAromaticRings: | 0 |
