Glycoside
GD058638
Name:
NoneFormula:
C14H15O6N2FSmiles:
N#Cc1cccc(C(=O)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1FAglycone:
N#Cc1cccc(C(N)=O)c1FSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.43 |
| AlogP: | -1.77 | Num_rotatable_bonds: | 3 |
| MolWt: | 326.28 | Num_heavy_atoms: | 23 |
| TPSA: | 143.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD29288
Formula: C8H5ON2F
Smiles:
N#Cc1cccc(C(N)=O)c1F| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 1 |
| MolWt: | 164.14 | Num_heavy_atoms: | 12 |
| TPSA: | 66.88 | NumAromaticRings: | 1 |
