Glycoside
GD137808
Name:
3-methyl-1-[(3-methyl-1-{[3-methyl-1-({3-methyl-1-oxo-1-[(2,3,4,5,6-pentahydroxyhexyl)oxy]butan-2-yl}oxy)-1-oxopentan-2-yl]oxy}-1-oxopentan-2-yl)oxy]-1-oxopentan-2-yl 2-hydroxy-3-methylpentanoateFormula:
C35H62O16Smiles:
CCC(C)C(O)C(=O)OC(C(=O)OC(C(=O)OC(C(=O)OC(C(=O)OCC(O)C(O)C(O)C(O)CO)C(C)C)C(C)CC)C(C)CC)C(C)CCAglycone:
CCC(C)C(O)C(=O)OC(C(=O)OC(C(=O)OC(C(=O)OC(C=O)C(C)C)C(C)CC)C(C)CC)C(C)CCSugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 16 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 24 |
| MolWt: | 738.86 | Num_heavy_atoms: | 51 |
| TPSA: | 252.88 | NumAromaticRings: | 0 |
Unique Aglycone
AD55657
Formula: C29H50O10
Smiles:
CCC(C)C(O)C(=O)OC(C(=O)OC(C(=O)OC(C(=O)OC(C=O)C(C)C)C(C)CC)C(C)CC)C(C)CC| HBA: | 10 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 4.03 | Num_rotatable_bonds: | 18 |
| MolWt: | 558.71 | Num_heavy_atoms: | 39 |
| TPSA: | 142.5 | NumAromaticRings: | 0 |
