Glycoside
GD076114
Name:
NoneFormula:
C19H26O6N3Smiles:
N#CC1(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)CC[NH+](Cc2ccccc2)CC1Aglycone:
N#CC1(N)CC[NH+](Cc2ccccc2)CC1Sugarmoiety:
O=C(O)C(=O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | -3.11 | Num_rotatable_bonds: | 8 |
| MolWt: | 392.43 | Num_heavy_atoms: | 28 |
| TPSA: | 155.32 | NumAromaticRings: | 1 |
Unique Aglycone
AD35177
Formula: C13H18N3
Smiles:
N#CC1(N)CC[NH+](Cc2ccccc2)CC1| HBA: | 3 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.46 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 2 |
| MolWt: | 216.31 | Num_heavy_atoms: | 16 |
| TPSA: | 54.25 | NumAromaticRings: | 1 |
