Glycoside
GD085204
Name:
NoneFormula:
C20H19O6N2FSmiles:
N#Cc1ccc(-c2ccc(C(=O)N[C@H]3[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)cc2)cc1FAglycone:
N#Cc1ccc(-c2ccc(C(N)=O)cc2)cc1FSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 402.38 | Num_heavy_atoms: | 29 |
| TPSA: | 143.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD38115
Formula: C14H9ON2F
Smiles:
N#Cc1ccc(-c2ccc(C(N)=O)cc2)cc1F| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.46 | Num_rotatable_bonds: | 2 |
| MolWt: | 240.24 | Num_heavy_atoms: | 18 |
| TPSA: | 66.88 | NumAromaticRings: | 2 |
