Glycoside
GD142607
Name:
[3,4,5-tris(acetyloxy)-6-(2,3-dihydroxypropoxy)oxan-2-yl]methyl acetateFormula:
C17H26O12Smiles:
CC(=O)OCC1OC(OCC(O)CO)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.OCC(O)COSugarmoiety:
CC(=O)O.CC(=O)OOC(OC(C)=O)C(O)OCC(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.76 |
| AlogP: | -1.56 | Num_rotatable_bonds: | 9 |
| MolWt: | 422.38 | Num_heavy_atoms: | 29 |
| TPSA: | 164.12 | 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 |
AD00405
Formula: C3H8O3
Smiles:
OCC(O)CO| HBA: | 3 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.67 | Num_rotatable_bonds: | 2 |
| MolWt: | 92.09 | Num_heavy_atoms: | 6 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
