Glycoside
GD052460
Name:
NoneFormula:
C13H20O8Smiles:
CO[C@H]1C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O1Aglycone:
COC(C)=OSugarmoiety:
COC1COC(OC(C)=O)C(COC(C)=O)O1Other Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.77 |
| AlogP: | 0.17 | Num_rotatable_bonds: | 5 |
| MolWt: | 304.3 | Num_heavy_atoms: | 21 |
| TPSA: | 97.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
