Glycoside
GD149530
Name:
(hexahydro-1H-pyrrolizin-1-yl)methyl 2-(3-methylbut-2-en-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C26H37O8NSmiles:
CC(C)=CCc1cc(OC2OC(CO)C(O)C(O)C2O)ccc1C(=O)OCC1CCN2CCCC12Aglycone:
CC(C)=CCc1cc(O)ccc1C(=O)OCC1CCN2CCCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 8 |
| MolWt: | 491.58 | Num_heavy_atoms: | 35 |
| TPSA: | 128.92 | NumAromaticRings: | 1 |
Unique Aglycone
AD59783
Formula: C20H27O3N
Smiles:
CC(C)=CCc1cc(O)ccc1C(=O)OCC1CCN2CCCC12| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | 3.54 | Num_rotatable_bonds: | 5 |
| MolWt: | 329.44 | Num_heavy_atoms: | 24 |
| TPSA: | 49.77 | NumAromaticRings: | 1 |
