Glycoside
GD050816
Name:
NoneFormula:
C14H16O7N2Smiles:
COc1cccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)c1C#NAglycone:
COc1cccc(N)c1C#NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.36 |
| AlogP: | -1.85 | Num_rotatable_bonds: | 7 |
| MolWt: | 324.29 | Num_heavy_atoms: | 23 |
| TPSA: | 160.11 | NumAromaticRings: | 1 |
Unique Aglycone
AD26742
Formula: C8H8ON2
Smiles:
COc1cccc(N)c1C#N| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 148.16 | Num_heavy_atoms: | 11 |
| TPSA: | 59.04 | NumAromaticRings: | 1 |
