Glycoside
GD130290
Name:
3-hydroxy-3-(2-hydroxypropan-2-yl)-4-({1-[(2-methylbut-2-enoyl)oxy]-2,3,5,7a-tetrahydro-1H-pyrrolizin-6-yl}methoxy)-4-oxobutan-2-yl 2-methylbut-2-enoateFormula:
C25H37O8NSmiles:
CC=C(C)C(=O)OC1CCN2CC(COC(=O)C(O)(C(C)OC(=O)C(C)=CC)C(C)(C)O)=CC12Aglycone:
CC=C(C)C(=O)OC1CCN2CC(C)=CC12.CC=C(C)C=OSugarmoiety:
CC(OO)C(O)(C(=O)OO)C(C)(C)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 9 |
| MolWt: | 479.57 | Num_heavy_atoms: | 34 |
| TPSA: | 122.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD17483
Formula: C5H8O
Smiles:
CC=C(C)C=O| HBA: | 1 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.4 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 1 |
| MolWt: | 84.12 | Num_heavy_atoms: | 6 |
| TPSA: | 17.07 | NumAromaticRings: | 0 |
AD52796
Formula: C13H19O2N
Smiles:
CC=C(C)C(=O)OC1CCN2CC(C)=CC12| HBA: | 3 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.62 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 221.3 | Num_heavy_atoms: | 16 |
| TPSA: | 29.54 | NumAromaticRings: | 0 |
