Glycoside
GD114149
Name:
7-({[2,3-dihydroxy-2-(1-methoxyethyl)-3-methylbutanoyl]oxy}methyl)-4-oxo-2,3,5,7a-tetrahydro-1H-4λâµ-pyrrolizin-1-yl 2-methylbut-2-enoateFormula:
C21H33O8NSmiles:
CC=C(C)C(=O)OC1CC[N+]2([O-])CC=C(COC(=O)C(O)(C(C)OC)C(C)(C)O)C12Aglycone:
CC=C(C)C(=O)OC1CC[N+]2([O-])CC=C(C)C12Sugarmoiety:
COC(C)C(O)(C(=O)OO)C(C)(C)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 0.97 | Num_rotatable_bonds: | 8 |
| MolWt: | 427.49 | Num_heavy_atoms: | 30 |
| TPSA: | 125.35 | 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 |
