Glycoside
GD118439
Name:
{1-[(2-methylbutanoyl)oxy]-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl}methyl 2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoateFormula:
C20H33O7NSmiles:
CCC(C)C(=O)OC1CCN2CC=C(COC(=O)C(O)(C(C)O)C(C)(C)O)C12Aglycone:
CCC(C)C(=O)OC1CCN2CC=C(C)C12Sugarmoiety:
CC(O)C(O)(C(=O)OO)C(C)(C)OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.8 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 8 |
| MolWt: | 399.48 | Num_heavy_atoms: | 28 |
| TPSA: | 116.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD47356
Formula: C13H21O2N
Smiles:
CCC(C)C(=O)OC1CCN2CC=C(C)C12| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.77 |
| AlogP: | 1.98 | Num_rotatable_bonds: | 3 |
| MolWt: | 223.32 | Num_heavy_atoms: | 16 |
| TPSA: | 29.54 | NumAromaticRings: | 0 |
