Glycoside
GD102287
Name:
NoneFormula:
C17H24O6NISmiles:
CC(C)(C)c1ccc(C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1IAglycone:
CC(C)(C)c1ccc(C(N)=O)cc1ISugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 3 |
| MolWt: | 465.28 | Num_heavy_atoms: | 25 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD43294
Formula: C11H14ONI
Smiles:
CC(C)(C)c1ccc(C(N)=O)cc1I| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.36 |
| AlogP: | 2.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 303.14 | Num_heavy_atoms: | 14 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
