Glycoside
GD154040
Name:
{3,4,5-trihydroxy-6-[(3-methylbutanoyl)oxy]oxan-2-yl}methyl 3-methylbutanoateFormula:
C16H28O8Smiles:
CC(C)CC(=O)OCC1OC(OC(=O)CC(C)C)C(O)C(O)C1OAglycone:
CC(C)CC(=O)O.COC(=O)CC(C)CSugarmoiety:
OCC1OOC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.88 |
| AlogP: | -0.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 348.39 | Num_heavy_atoms: | 24 |
| TPSA: | 122.52 | 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 |
AD01663
Formula: C6H12O2
Smiles:
COC(=O)CC(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.83 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
