Glycoside
GD139681
Name:
2-({9-hydroxy-1,2-dimethyltricyclo[4.4.0.0²,â¸]decan-6-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C18H30O7Smiles:
CC12CCCC3(OC4OC(CO)C(O)C(O)C4O)CC1C(O)CC32CAglycone:
CC12CCCC3(O)CC1C(O)CC32CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | -0.48 | Num_rotatable_bonds: | 3 |
| MolWt: | 358.43 | Num_heavy_atoms: | 25 |
| TPSA: | 119.61 | NumAromaticRings: | 0 |
Unique Aglycone
AD56324
Formula: C12H20O2
Smiles:
CC12CCCC3(O)CC1C(O)CC32C| HBA: | 2 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 0 |
| MolWt: | 196.29 | Num_heavy_atoms: | 14 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
