Glycoside
GD117070
Name:
3-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-6,6-dimethylbicyclo[3.1.1]heptan-2-oneFormula:
C20H32O11Smiles:
CC1(C)C2CC(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)C(=O)C1C2Aglycone:
CC1(C)C2CC(O)C(=O)C1C2Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.95 |
| AlogP: | -2.73 | Num_rotatable_bonds: | 6 |
| MolWt: | 448.47 | Num_heavy_atoms: | 31 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD46617
Formula: C9H14O2
Smiles:
CC1(C)C2CC(O)C(=O)C1C2| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.89 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 0 |
| MolWt: | 154.21 | Num_heavy_atoms: | 11 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
