Glycoside
GD045954
Name:
NoneFormula:
C14H22O4NSmiles:
O[C@H]1COCC[C@@](O)(C[NH2+]Cc2ccccc2)[C@H]1OAglycone:
C[NH2+]Cc1ccccc1Sugarmoiety:
OC1COCCC(O)(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.57 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 4 |
| MolWt: | 268.33 | Num_heavy_atoms: | 19 |
| TPSA: | 86.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD24825
Formula: C8H12N
Smiles:
C[NH2+]Cc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.19 | Num_heavy_atoms: | 9 |
| TPSA: | 16.61 | NumAromaticRings: | 1 |
