Glycoside
GD147591
Name:
3-methyl-1-({3-methyl-1-oxo-1-[(2,3,4,5,6-pentahydroxyhexyl)oxy]pentan-2-yl}oxy)-1-oxopentan-2-yl 2-hydroxy-3-methylpentanoateFormula:
C24H44O12Smiles:
CCC(C)C(O)C(=O)OC(C(=O)OC(C(=O)OCC(O)C(O)C(O)C(O)CO)C(C)CC)C(C)CCAglycone:
CCC(C)C(C=O)OC(=O)C(OC(=O)C(O)C(C)CC)C(C)CCSugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 12 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.88 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 17 |
| MolWt: | 524.6 | Num_heavy_atoms: | 36 |
| TPSA: | 200.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD59094
Formula: C18H32O6
Smiles:
CCC(C)C(C=O)OC(=O)C(OC(=O)C(O)C(C)CC)C(C)CC| HBA: | 6 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 2.51 | Num_rotatable_bonds: | 11 |
| MolWt: | 344.45 | Num_heavy_atoms: | 24 |
| TPSA: | 89.9 | NumAromaticRings: | 0 |
