Glycoside
GD061754
Name:
NoneFormula:
C17H28O5NSmiles:
CCc1ccc(C[C@@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1Aglycone:
CCc1ccc(CC(C)[NH3+])cc1Sugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 10 |
| MolWt: | 326.41 | Num_heavy_atoms: | 23 |
| TPSA: | 114.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD30157
Formula: C11H18N
Smiles:
CCc1ccc(CC(C)[NH3+])cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 164.27 | Num_heavy_atoms: | 12 |
| TPSA: | 27.64 | NumAromaticRings: | 1 |
