Glycoside
GD050869
Name:
NoneFormula:
C13H22O6N2Smiles:
CC(C)C[C@](C)(C#N)NC(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
CC(C)CC(C)(N)C#NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.77 |
| AlogP: | -1.92 | Num_rotatable_bonds: | 8 |
| MolWt: | 302.33 | Num_heavy_atoms: | 21 |
| TPSA: | 150.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD26758
Formula: C7H14N2
Smiles:
CC(C)CC(C)(N)C#N| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 1.27 | Num_rotatable_bonds: | 2 |
| MolWt: | 126.2 | Num_heavy_atoms: | 9 |
| TPSA: | 49.81 | NumAromaticRings: | 0 |
