Glycoside
GD036860
Name:
NoneFormula:
C22H36O13Smiles:
CC(=CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)CCC=C(C)C(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
CC(=CCO)CCC=C(C)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.77 |
| AlogP: | -3.18 | Num_rotatable_bonds: | 10 |
| MolWt: | 508.52 | Num_heavy_atoms: | 35 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD21716
Formula: C10H16O3
Smiles:
CC(=CCO)CCC=C(C)C(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 1.74 | Num_rotatable_bonds: | 5 |
| MolWt: | 184.23 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
