Glycoside
GD041786
Name:
NoneFormula:
C12H20O4NSmiles:
OC[C@H](O)[C@@H](O)[C@@H](O)C[NH2+]Cc1ccccc1Aglycone:
C[NH2+]Cc1ccccc1Sugarmoiety:
OCC(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.5 |
| AlogP: | -2.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 242.29 | Num_heavy_atoms: | 17 |
| TPSA: | 97.53 | 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 |
