Glycoside
GD114361
Name:
2-[(acetyloxy)methyl]-6-hydroxy-4,5-bis[(3-methylpentanoyl)oxy]oxan-3-yl 3-methylpentanoateFormula:
C26H44O10Smiles:
CCC(C)CC(=O)OC1C(O)OC(COC(C)=O)C(OC(=O)CC(C)CC)C1OC(=O)CC(C)CCAglycone:
CCC(C)CC(=O)O.CCC(C)CC(=O)O.CCC(C)CC(=O)O.COC(C)=OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.85 |
| AlogP: | 3.31 | Num_rotatable_bonds: | 14 |
| MolWt: | 516.63 | Num_heavy_atoms: | 36 |
| TPSA: | 134.66 | NumAromaticRings: | 0 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD19106
Formula: C6H12O2
Smiles:
CCC(C)CC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 3 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
