Glycoside
GD150876
Name:
[3-Hydroxy-1-[3-Hydroxy-1-Oxo-1-(2,3,4,5,6-Pentahydroxyhexoxy)Decan-5-Yl]Oxy-1-Oxodecan-5-Yl] 3,5-DihydroxydecanoateFormula:
C36H68O15Smiles:
CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)COAglycone:
CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC=OSugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 15 | RingCount: | 0 |
| HBD: | 9 | FractionCSP3: | 0.92 |
| AlogP: | 1.31 | Num_rotatable_bonds: | 32 |
| MolWt: | 740.93 | Num_heavy_atoms: | 51 |
| TPSA: | 260.97 | NumAromaticRings: | 0 |
Unique Aglycone
AD60225
Formula: C30H56O9
Smiles:
CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC=O| HBA: | 9 | RingCount: | 0 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 4.53 | Num_rotatable_bonds: | 26 |
| MolWt: | 560.77 | Num_heavy_atoms: | 39 |
| TPSA: | 150.59 | NumAromaticRings: | 0 |
