Glycoside
GD127659
Name:
7-({[2,3-dihydroxy-2-(hydroxymethyl)butanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl 2-methylbut-2-enoateFormula:
C18H27O7NSmiles:
CC=C(C)C(=O)OC1CCN2CC=C(COC(=O)C(O)(CO)C(C)O)C12Aglycone:
CC=C(C)C(=O)OC1CCN2CC=C(C)C12Sugarmoiety:
CC(O)C(O)(CO)C(=O)OOOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | -0.47 | Num_rotatable_bonds: | 7 |
| MolWt: | 369.41 | Num_heavy_atoms: | 26 |
| TPSA: | 116.53 | NumAromaticRings: | 0 |
Unique Aglycone
AD02135
Formula: C13H19O2N
Smiles:
CC=C(C)C(=O)OC1CCN2CC=C(C)C12| 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 |
