Glycoside
GD058490
Name:
NoneFormula:
C15H19O6N3Smiles:
CC(C)(C#N)c1ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO)cn1Aglycone:
CC(C)(C#N)c1ccc(N)cn1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.47 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 7 |
| MolWt: | 337.33 | Num_heavy_atoms: | 24 |
| TPSA: | 163.77 | NumAromaticRings: | 1 |
Unique Aglycone
AD29237
Formula: C9H11N3
Smiles:
CC(C)(C#N)c1ccc(N)cn1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.46 | Num_rotatable_bonds: | 1 |
| MolWt: | 161.21 | Num_heavy_atoms: | 12 |
| TPSA: | 62.7 | NumAromaticRings: | 1 |
