Glycoside
GD052237
Name:
NoneFormula:
C16H26O5NSmiles:
Cc1ccc(C[C@@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1Aglycone:
Cc1ccc(CC(C)[NH3+])cc1Sugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.56 |
| AlogP: | -1.87 | Num_rotatable_bonds: | 9 |
| MolWt: | 312.39 | Num_heavy_atoms: | 22 |
| TPSA: | 114.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD27072
Formula: C10H16N
Smiles:
Cc1ccc(CC(C)[NH3+])cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 2 |
| MolWt: | 150.25 | Num_heavy_atoms: | 11 |
| TPSA: | 27.64 | NumAromaticRings: | 1 |
