Glycoside
GD106272
Name:
[3,4-bis(acetyloxy)-5-{[4,5-bis(acetyloxy)-6-methoxyoxan-3-yl]oxy}oxolan-2-yl]methyl acetateFormula:
C21H30O14Smiles:
CO[C@@H]1OC[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=OSugarmoiety:
COC1OCC(OC2OC(O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.76 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 9 |
| MolWt: | 506.46 | Num_heavy_atoms: | 35 |
| TPSA: | 168.42 | 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 |
