Glycoside
GD157134
Name:
3-Methylbutanoyl-1-O-Beta-D-Glucopyranosyl-Beta-D-ApiofuranosideFormula:
C16H28O11Smiles:
CC(C)CC(=O)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1OAglycone:
CC(C)CC(=O)OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | -3.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 396.39 | Num_heavy_atoms: | 27 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD00281
Formula: C5H10O2
Smiles:
CC(C)CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 1.12 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
