Glycoside
GD061761
Name:
NoneFormula:
C17H28O6NSmiles:
COc1ccc(CC[C@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1Aglycone:
COc1ccc(CCC(C)[NH3+])cc1Sugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 11 |
| MolWt: | 342.41 | Num_heavy_atoms: | 24 |
| TPSA: | 123.83 | NumAromaticRings: | 1 |
Unique Aglycone
AD30174
Formula: C11H18ON
Smiles:
COc1ccc(CCC(C)[NH3+])cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.45 |
| AlogP: | 1.26 | Num_rotatable_bonds: | 4 |
| MolWt: | 180.27 | Num_heavy_atoms: | 13 |
| TPSA: | 36.87 | NumAromaticRings: | 1 |
