Glycoside
GD079234
Name:
2-[(acetyloxy)methyl]-4,5-dihydroxy-6-(2,3,4-trihydroxybutoxy)oxan-3-yl hexanoateFormula:
C18H32O11Smiles:
CCCCCC(=O)O[C@@H]1[C@@H](COC(C)=O)O[C@@H](OC[C@H](O)[C@H](O)CO)[C@@H](O)[C@H]1OAglycone:
CCCCCC(=O)O.COC(C)=OSugarmoiety:
OCC(O)C(O)COC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | -1.78 | Num_rotatable_bonds: | 12 |
| MolWt: | 424.44 | Num_heavy_atoms: | 29 |
| TPSA: | 172.21 | 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 |
AD00130
Formula: C6H12O2
Smiles:
CCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 1.65 | Num_rotatable_bonds: | 4 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
