Glycoside
GD029790
Name:
LYNGBOUILLOSIDEFormula:
C31H52O10Smiles:
CCC=CC=CCC[C@@]1(C)C[C@H](O)[C@H](C)CC[C@@H]2C[C@H](O[C@@H]3O[C@H](C)[C@H](OC)[C@H](O)[C@H]3OC)C[C@](O)(CC(=O)O1)O2Aglycone:
CCC=CC=CCCC1(C)CC(O)C(C)CCC2CC(O)CC(O)(CC(=O)O1)O2Sugarmoiety:
COC1C(C)OC(O)C(OC)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 3.55 | Num_rotatable_bonds: | 9 |
| MolWt: | 584.75 | Num_heavy_atoms: | 41 |
| TPSA: | 133.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD19338
Formula: C23H38O6
Smiles:
CCC=CC=CCCC1(C)CC(O)C(C)CCC2CC(O)CC(O)(CC(=O)O1)O2| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 410.55 | Num_heavy_atoms: | 29 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
