Glycoside
GD141814
Name:
4,5-dihydroxy-6-(hydroxymethyl)-2-[(2-methylbutanoyl)oxy]oxan-3-yl 3-methylbutanoateFormula:
C16H28O8Smiles:
CCC(C)C(=O)OC1OC(CO)C(O)C(O)C1OC(=O)CC(C)CAglycone:
CC(C)CC(=O)O.CCC(C)C(=O)OSugarmoiety:
OCC1OC(O)C(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 |
AD00363
Formula: C5H10O2
Smiles:
CCC(C)C(=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 |
