Glycoside
GD044962
Name:
NoneFormula:
C12H17O6N3Smiles:
N#CCCN(CCC#N)C(=O)C(=O)[C@H](O)[C@H](O)[C@@H](O)COAglycone:
N#CCCNCCC#NSugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -2.71 | Num_rotatable_bonds: | 9 |
| MolWt: | 299.28 | Num_heavy_atoms: | 21 |
| TPSA: | 165.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD25147
Formula: C6H9N3
Smiles:
N#CCCNCCC#N| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 4 |
| MolWt: | 123.16 | Num_heavy_atoms: | 9 |
| TPSA: | 59.61 | NumAromaticRings: | 0 |
