Glycoside
GD058497
Name:
NoneFormula:
C15H21O6N3Smiles:
CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
CC(C)(C)n1cc(C#N)cc1NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.53 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 339.35 | Num_heavy_atoms: | 24 |
| TPSA: | 155.81 | NumAromaticRings: | 1 |
Unique Aglycone
AD29240
Formula: C9H13N3
Smiles:
CC(C)(C)n1cc(C#N)cc1N| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.44 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 163.22 | Num_heavy_atoms: | 12 |
| TPSA: | 54.74 | NumAromaticRings: | 1 |
