Glycoside
GD016277
Name:
Ascr#7Formula:
C13H22O6Smiles:
CC1O[C@H](O[C@H](C)CCC=CC(=O)O)C(O)C[C@H]1OAglycone:
CC(O)CCC=CC(=O)OSugarmoiety:
CC1OC(O)C(O)CC1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.77 |
| AlogP: | 0.67 | Num_rotatable_bonds: | 6 |
| MolWt: | 274.31 | Num_heavy_atoms: | 19 |
| TPSA: | 96.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD11744
Formula: C7H12O3
Smiles:
CC(O)CCC=CC(=O)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.57 |
| AlogP: | 0.79 | Num_rotatable_bonds: | 4 |
| MolWt: | 144.17 | Num_heavy_atoms: | 10 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
