Glycoside
GD106056
Name:
[3,4,5-tris(acetyloxy)-6-{[3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy}oxan-2-yl]methyl acetateFormula:
C21H32O15Smiles:
CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H]1OAglycone:
COC(C)=OSugarmoiety:
COC1OC(CO)C(O)C(OC2OC(O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.81 |
| AlogP: | -2.46 | Num_rotatable_bonds: | 9 |
| MolWt: | 524.47 | Num_heavy_atoms: | 36 |
| TPSA: | 202.81 | 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 |
