Glycoside
GD140074
Name:
4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-2-oneFormula:
C11H20O7Smiles:
CC(=O)CC(C)OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)CC(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | -1.83 | Num_rotatable_bonds: | 5 |
| MolWt: | 264.27 | Num_heavy_atoms: | 18 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD54515
Formula: C5H10O2
Smiles:
CC(=O)CC(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
