Glycoside
GD058618
Name:
NoneFormula:
C15H18O7N2Smiles:
COC(=O)c1cc(C#N)ccc1N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OAglycone:
COC(=O)c1cc(C#N)ccc1NSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 4 |
| MolWt: | 338.32 | Num_heavy_atoms: | 24 |
| TPSA: | 152.27 | NumAromaticRings: | 1 |
Unique Aglycone
AD29279
Formula: C9H8O2N2
Smiles:
COC(=O)c1cc(C#N)ccc1N| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 176.18 | Num_heavy_atoms: | 13 |
| TPSA: | 76.11 | NumAromaticRings: | 1 |
