Glycoside
GD158216
Name:
3,5-bis(acetyloxy)-2-[(acetyloxy)methyl]-6-(2,3,4-trihydroxybutoxy)oxan-4-yl dodecanoateFormula:
C28H48O13Smiles:
CCCCCCCCCCCC(=O)OC1C(OC(C)=O)C(COC(C)=O)OC(OCC(O)C(O)CO)C1OC(C)=OAglycone:
CCCCCCCCCCCC(=O)O.COC(C)=OSugarmoiety:
CC(=O)OCC1OC(O)C(OC(C)=O)C(OCC(O)C(O)CO)O1Other Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 1.7 | Num_rotatable_bonds: | 20 |
| MolWt: | 592.68 | Num_heavy_atoms: | 41 |
| TPSA: | 184.35 | 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 |
AD00188
Formula: C12H24O2
Smiles:
CCCCCCCCCCCC(=O)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.92 |
| AlogP: | 3.99 | Num_rotatable_bonds: | 10 |
| MolWt: | 200.32 | Num_heavy_atoms: | 14 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
