Glycoside
GD017654
Name:
NoneFormula:
C20H31O6NSmiles:
C[C@H](CC(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccc(C(C)(C)C)cc1Aglycone:
CC(CC(N)=O)c1ccc(C(C)(C)C)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.65 |
| AlogP: | 0.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 381.47 | Num_heavy_atoms: | 27 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD12581
Formula: C14H21ON
Smiles:
CC(CC(N)=O)c1ccc(C(C)(C)C)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 2.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 219.33 | Num_heavy_atoms: | 16 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
