Glycoside
GD044937
Name:
NoneFormula:
C12H14O7N2Smiles:
Cc1coc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1C#NAglycone:
Cc1coc(N)c1C#NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.42 |
| AlogP: | -1.96 | Num_rotatable_bonds: | 6 |
| MolWt: | 298.25 | Num_heavy_atoms: | 21 |
| TPSA: | 164.02 | NumAromaticRings: | 1 |
Unique Aglycone
AD25139
Formula: C6H6ON2
Smiles:
Cc1coc(N)c1C#N| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 0 |
| MolWt: | 122.13 | Num_heavy_atoms: | 9 |
| TPSA: | 62.95 | NumAromaticRings: | 1 |
