Glycoside
GD031995
Name:
ECHIMIDINE N-OXIDEFormula:
C20H31O8NSmiles:
CC=C(C)C(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@](O)([C@H](C)O)C(C)(C)O)[C@H]12Aglycone:
CC=C(C)C(=O)OC1CC[N+]2([O-])CC=C(C)C12Sugarmoiety:
CC(O)C(O)(C(=O)OO)C(C)(C)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.7 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 7 |
| MolWt: | 413.47 | Num_heavy_atoms: | 29 |
| TPSA: | 136.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD20558
Formula: C13H19O3N
Smiles:
CC=C(C)C(=O)OC1CC[N+]2([O-])CC=C(C)C12| HBA: | 4 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.62 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 2 |
| MolWt: | 237.3 | Num_heavy_atoms: | 17 |
| TPSA: | 49.36 | NumAromaticRings: | 0 |
