Glycoside
GD050789
Name:
NoneFormula:
C15H18O6N2Smiles:
N#CCN(Cc1ccccc1)C(=O)C(=O)[C@H](O)[C@@H](O)[C@@H](O)COAglycone:
N#CCNCc1ccccc1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.4 |
| AlogP: | -1.82 | Num_rotatable_bonds: | 8 |
| MolWt: | 322.32 | Num_heavy_atoms: | 23 |
| TPSA: | 142.09 | NumAromaticRings: | 1 |
Unique Aglycone
AD25079
Formula: C9H10N2
Smiles:
N#CCNCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.3 | Num_rotatable_bonds: | 3 |
| MolWt: | 146.19 | Num_heavy_atoms: | 11 |
| TPSA: | 35.82 | NumAromaticRings: | 1 |
