Glycoside
GD068009
Name:
NoneFormula:
C16H22O6N3Smiles:
C[NH+](C)Cc1ccc(-c2noc(/C(O)=C(\O)[C@H](O)[C@H](O)CO)n2)cc1Aglycone:
C[NH+](C)Cc1ccc(-c2noc(CO)n2)cc1Sugarmoiety:
O=C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.38 |
| AlogP: | -1.12 | Num_rotatable_bonds: | 7 |
| MolWt: | 352.37 | Num_heavy_atoms: | 25 |
| TPSA: | 144.51 | NumAromaticRings: | 2 |
Unique Aglycone
AD32258
Formula: C12H16O2N3
Smiles:
C[NH+](C)Cc1ccc(-c2noc(CO)n2)cc1| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | -0.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 234.28 | Num_heavy_atoms: | 17 |
| TPSA: | 63.59 | NumAromaticRings: | 2 |
