Glycoside
GD152515
Name:
6-[2,3-bis(acetyloxy)propoxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C13H20O11Smiles:
CC(=O)OCC(COC1OC(C(=O)O)C(O)C(O)C1O)OC(C)=OAglycone:
CC(=O)OCC(CO)OC(C)=OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | -2.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 352.29 | Num_heavy_atoms: | 24 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD15243
Formula: C7H12O5
Smiles:
CC(=O)OCC(CO)OC(C)=O| HBA: | 5 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | -0.53 | Num_rotatable_bonds: | 4 |
| MolWt: | 176.17 | Num_heavy_atoms: | 12 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
