Glycoside
GD084392
Name:
NoneFormula:
C14H18O6NISmiles:
Cc1cc(C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1IAglycone:
Cc1cc(C(N)=O)ccc1ISugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 423.2 | Num_heavy_atoms: | 22 |
| TPSA: | 119.25 | NumAromaticRings: | 1 |
Unique Aglycone
AD37680
Formula: C8H8ONI
Smiles:
Cc1cc(C(N)=O)ccc1I| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 1 |
| MolWt: | 261.06 | Num_heavy_atoms: | 11 |
| TPSA: | 43.09 | NumAromaticRings: | 1 |
