Glycoside
GD108866
Name:
5-hydroxy-2-{[4-hydroxy-2,5-bis(hydroxymethyl)-3-[(2-methylpropanoyl)oxy]oxolan-2-yl]oxy}-4-[(2-methylpropanoyl)oxy]-6-{[(2-methylpropanoyl)oxy]methyl}oxan-3-yl decanoateFormula:
C34H58O15Smiles:
CCCCCCCCCC(=O)O[C@@H]1[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)C(C)C)O[C@@H](COC(=O)C(C)C)[C@H](O)[C@H]1OC(=O)C(C)CAglycone:
CC(C)C(=O)O.CC(C)C(=O)O.CCCCCCCCCC(=O)O.COC(=O)C(C)CSugarmoiety:
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)OC1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.88 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 20 |
| MolWt: | 706.82 | Num_heavy_atoms: | 49 |
| TPSA: | 213.81 | 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 |
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 |
AD01332
Formula: C10H20O2
Smiles:
CCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 8 |
| MolWt: | 172.27 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
