Glycoside
GD018675
Name:
Ascr#2Formula:
C12H22O5Smiles:
CC(=O)CC[C@H](C)O[C@@H]1OC(C)[C@H](O)CC1OAglycone:
CC(=O)CCC(C)OSugarmoiety:
CC1OC(O)C(O)CC1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.92 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 246.3 | Num_heavy_atoms: | 17 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
Unique Aglycone
AD10263
Formula: C6H12O2
Smiles:
CC(=O)CCC(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 3 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
