Glycoside
GD150340
Name:
3,4,5-trihydroxy-6-[(3-methylbutanoyl)oxy]oxane-2-carboxylic acidFormula:
C11H18O8Smiles:
CC(C)CC(=O)OC1OC(C(=O)O)C(O)C(O)C1OAglycone:
CC(C)CC(=O)OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.82 |
| AlogP: | -1.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 278.26 | Num_heavy_atoms: | 19 |
| TPSA: | 133.52 | 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 |
