Glycoside
GD144464
Name:
[3,4,5-tris(acetyloxy)-6-{[2,3,4,5-tetrakis(acetyloxy)cyclohexyl]oxy}oxan-2-yl]methyl acetateFormula:
C28H38O18Smiles:
CC(=O)OCC1OC(OC2CC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
CC(=O)OC1CC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.71 |
| AlogP: | -0.41 | Num_rotatable_bonds: | 11 |
| MolWt: | 662.59 | Num_heavy_atoms: | 46 |
| TPSA: | 228.86 | 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 |
AD58060
Formula: C14H20O9
Smiles:
CC(=O)OC1CC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O| HBA: | 9 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.71 |
| AlogP: | -0.52 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.31 | Num_heavy_atoms: | 23 |
| TPSA: | 125.43 | NumAromaticRings: | 0 |
