Glycoside
GD114849
Name:
2-({2-butoxy-4-hydroxy-5-[(2-methylpropanoyl)oxy]-6-{[(2-methylpropanoyl)oxy]methyl}oxan-3-yl}oxy)-3-hydroxy-6-methyl-5-[(2-methylpropanoyl)oxy]oxan-4-yl butanoateFormula:
C32H54O14Smiles:
CCCCOC1OC(COC(=O)C(C)C)C(OC(=O)C(C)C)C(O)C1OC1OC(C)C(OC(=O)C(C)C)C(OC(=O)CCC)C1OAglycone:
CC(C)C(=O)O.CC(C)C(=O)O.CCCC(=O)O.CCCCO.COC(=O)C(C)CSugarmoiety:
CC1OC(O)C(O)C(OC2C(O)OC(CO)C(O)C2O)O1Other Identifiers
Properties
| HBA: | 14 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 2.43 | Num_rotatable_bonds: | 16 |
| MolWt: | 662.77 | Num_heavy_atoms: | 46 |
| TPSA: | 182.58 | NumAromaticRings: | 0 |
Unique Aglycone
AD00350
Formula: C4H8O2
Smiles:
CC(C)C(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD00922
Formula: C4H8O2
Smiles:
CCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 88.11 | Num_heavy_atoms: | 6 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD00936
Formula: C4H10O
Smiles:
CCCCO| HBA: | 1 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.78 | Num_rotatable_bonds: | 2 |
| MolWt: | 74.12 | Num_heavy_atoms: | 5 |
| TPSA: | 20.23 | NumAromaticRings: | 0 |
AD01210
Formula: C5H10O2
Smiles:
COC(=O)C(C)C| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.8 |
| AlogP: | 0.82 | Num_rotatable_bonds: | 1 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
