Glycoside
GD070561
Name:
NoneFormula:
C18H19O7NSmiles:
Cc1oc([C@H](O)[C@@H](O)[C@H](O)CO)cc1C(=O)OCc1ccccc1C#NAglycone:
Cc1occc1C(=O)OCc1ccccc1C#NSugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.33 |
| AlogP: | 0.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 361.35 | Num_heavy_atoms: | 26 |
| TPSA: | 144.15 | NumAromaticRings: | 2 |
Unique Aglycone
AD33440
Formula: C14H11O3N
Smiles:
Cc1occc1C(=O)OCc1ccccc1C#N| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 241.25 | Num_heavy_atoms: | 18 |
| TPSA: | 63.23 | NumAromaticRings: | 2 |
