Glycoside
GD050729
Name:
NoneFormula:
C15H18O6N2Smiles:
Cc1cc(C#N)cc(C(=O)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1Aglycone:
Cc1cc(C#N)cc(C(N)=O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 322.32 | Num_heavy_atoms: | 23 |
| TPSA: | 143.04 | NumAromaticRings: | 1 |
Unique Aglycone
AD26709
Formula: C9H8ON2
Smiles:
Cc1cc(C#N)cc(C(N)=O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.11 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 1 |
| MolWt: | 160.18 | Num_heavy_atoms: | 12 |
| TPSA: | 66.88 | NumAromaticRings: | 1 |
