Glycoside
GD127974
Name:
2-(2-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-5-methylcyclohexan-1-oneFormula:
C16H28O8Smiles:
CC1CCC(C(C)(O)COC2OC(CO)C(O)C(O)C2O)C(=O)C1Aglycone:
CC1CCC(C(C)(O)CO)C(=O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | -1.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 348.39 | Num_heavy_atoms: | 24 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD51842
Formula: C10H18O3
Smiles:
CC1CCC(C(C)(O)CO)C(=O)C1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 2 |
| MolWt: | 186.25 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
