Glycoside
GD076123
Name:
NoneFormula:
C18H30O8NSmiles:
COc1cc(C[C@@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)cc(OC)c1OCAglycone:
COc1cc(CC(C)[NH3+])cc(OC)c1OCSugarmoiety:
O=CC([OH2+])C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.61 |
| AlogP: | -2.15 | Num_rotatable_bonds: | 12 |
| MolWt: | 388.44 | Num_heavy_atoms: | 27 |
| TPSA: | 142.29 | NumAromaticRings: | 1 |
Unique Aglycone
AD35180
Formula: C12H20O3N
Smiles:
COc1cc(CC(C)[NH3+])cc(OC)c1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.5 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 226.3 | Num_heavy_atoms: | 16 |
| TPSA: | 55.33 | NumAromaticRings: | 1 |
