Glycoside
GD059203
Name:
2-{[6-hydroxy-6-methyl-3-(propan-2-yl)cyclohex-3-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C16H28O7Smiles:
CC(C)C1=CC[C@@](C)(O)[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1Aglycone:
CC(C)C1=CCC(C)(O)C(O)C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.39 | Num_heavy_atoms: | 23 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD29386
Formula: C10H18O2
Smiles:
CC(C)C1=CCC(C)(O)C(O)C1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 1.47 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
