Glycoside
GD153520
Name:
3-methyl-1-{[3-methyl-1-({3-methyl-1-oxo-1-[(2,3,4,5,6-pentahydroxyhexyl)oxy]pentan-2-yl}oxy)-1-oxopentan-2-yl]oxy}-1-oxopentan-2-yl 2-hydroxy-3-methylpentanoateFormula:
C30H54O14Smiles:
CCC(C)C(O)C(=O)OC(C(=O)OC(C(=O)OC(C(=O)OCC(O)C(O)C(O)C(O)CO)C(C)CC)C(C)CC)C(C)CCAglycone:
CCC(C)C(C=O)OC(=O)C(OC(=O)C(OC(=O)C(O)C(C)CC)C(C)CC)C(C)CCSugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 14 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.87 |
| AlogP: | 0.25 | Num_rotatable_bonds: | 21 |
| MolWt: | 638.75 | Num_heavy_atoms: | 44 |
| TPSA: | 226.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD15311
Formula: C24H42O8
Smiles:
CCC(C)C(C=O)OC(=O)C(OC(=O)C(OC(=O)C(O)C(C)CC)C(C)CC)C(C)CC| HBA: | 8 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 3.47 | Num_rotatable_bonds: | 15 |
| MolWt: | 458.59 | Num_heavy_atoms: | 32 |
| TPSA: | 116.2 | NumAromaticRings: | 0 |
