Glycoside
GD017721
Name:
1-[(3-Methylbutanoyl)Phloroglucinyl]-Beta-D-GlucopyranosideFormula:
C17H24O9Smiles:
CC(C)CC(=O)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(C)CC(=O)c1c(O)cc(O)cc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.59 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 6 |
| MolWt: | 372.37 | Num_heavy_atoms: | 26 |
| TPSA: | 156.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD12620
Formula: C11H14O4
Smiles:
CC(C)CC(=O)c1c(O)cc(O)cc1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.36 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 3 |
| MolWt: | 210.23 | Num_heavy_atoms: | 15 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
