Glycoside
GD153395
Name:
1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-oneFormula:
C9H16O7Smiles:
CC(=O)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 4 |
| MolWt: | 236.22 | Num_heavy_atoms: | 16 |
| TPSA: | 116.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD12135
Formula: C3H6O2
Smiles:
CC(=O)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | -0.43 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
