Glycoside
GD136576
Name:
3-methyl-1-({3-methyl-1-oxo-1-[(2,3,4,5,6-pentahydroxyhexyl)oxy]pentan-2-yl}oxy)-1-oxobutan-2-yl 2-hydroxy-3-methylpentanoateFormula:
C23H42O12Smiles:
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)CAglycone:
CCC(C)C(C=O)OC(=O)C(OC(=O)C(O)C(C)CC)C(C)CSugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 12 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 16 |
| MolWt: | 510.58 | Num_heavy_atoms: | 35 |
| TPSA: | 200.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD55212
Formula: C17H30O6
Smiles:
CCC(C)C(C=O)OC(=O)C(OC(=O)C(O)C(C)CC)C(C)C| HBA: | 6 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.82 |
| AlogP: | 2.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 330.42 | Num_heavy_atoms: | 23 |
| TPSA: | 89.9 | NumAromaticRings: | 0 |
