Glycoside
GD146209
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-oxobutan-2-yl 2-hydroxy-3-methylpentanoateFormula:
C29H52O14Smiles:
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)CAglycone:
CCC(C)C(C=O)OC(=O)C(OC(=O)C(OC(=O)C(O)C(C)CC)C(C)C)C(C)CCSugarmoiety:
OCC(O)C(O)C(O)C(O)COOOther Identifiers
Properties
| HBA: | 14 | RingCount: | 0 |
| HBD: | 6 | FractionCSP3: | 0.86 |
| AlogP: | -0.14 | Num_rotatable_bonds: | 20 |
| MolWt: | 624.72 | Num_heavy_atoms: | 43 |
| TPSA: | 226.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD58640
Formula: C23H40O8
Smiles:
CCC(C)C(C=O)OC(=O)C(OC(=O)C(OC(=O)C(O)C(C)CC)C(C)C)C(C)CC| HBA: | 8 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 14 |
| MolWt: | 444.57 | Num_heavy_atoms: | 31 |
| TPSA: | 116.2 | NumAromaticRings: | 0 |
