Glycoside
GD109148
Name:
[4,5,6-tris(propanoyloxy)-3-{[3,4,5-tris(propanoyloxy)-6-[(propanoyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl propanoateFormula:
C36H54O19Smiles:
CCC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H](OC(=O)CC)O[C@@H]2COC(=O)CC)[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@@H]1OC(=O)CCAglycone:
CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)O.CCC(=O)OC.CCC(=O)OCSugarmoiety:
OCC1OOC(O)C(OC2C(CO)OC(O)C(O)C2O)O1Other Identifiers
Properties
| HBA: | 19 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.78 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 20 |
| MolWt: | 790.81 | Num_heavy_atoms: | 55 |
| TPSA: | 238.09 | NumAromaticRings: | 0 |
Unique Aglycone
AD00155
Formula: C3H6O2
Smiles:
CCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.67 |
| AlogP: | 0.48 | Num_rotatable_bonds: | 1 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD04957
Formula: C4H8O2
Smiles:
CCC(=O)OC| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.75 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
