Glycoside
GD139527
Name:
4-hydroxy-4,6,6-trimethyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}bicyclo[3.1.1]heptan-3-oneFormula:
C16H26O8Smiles:
CC1(O)C(=O)CC2(OC3OC(CO)C(O)C(O)C3O)CC1C2(C)CAglycone:
CC1(O)C(=O)CC2(O)CC1C2(C)CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.94 |
| AlogP: | -1.69 | Num_rotatable_bonds: | 3 |
| MolWt: | 346.38 | Num_heavy_atoms: | 24 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD56262
Formula: C10H16O3
Smiles:
CC1(O)C(=O)CC2(O)CC1C2(C)C| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 0.49 | Num_rotatable_bonds: | 0 |
| MolWt: | 184.23 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
