Glycoside
GD078858
Name:
NoneFormula:
C19H19O6N2FSmiles:
N#Cc1cc(Nc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)ccc1FAglycone:
N#Cc1cc(Nc2ccc(O)cc2)ccc1FSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.32 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.37 | Num_heavy_atoms: | 28 |
| TPSA: | 135.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD36231
Formula: C13H9ON2F
Smiles:
N#Cc1cc(Nc2ccc(O)cc2)ccc1F| HBA: | 3 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 3.15 | Num_rotatable_bonds: | 2 |
| MolWt: | 228.23 | Num_heavy_atoms: | 17 |
| TPSA: | 56.05 | NumAromaticRings: | 2 |
