Glycoside
GD132203
Name:
benzyl 4,5-dihydroxy-2-methoxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylateFormula:
C17H24O9Smiles:
COC1(C(=O)OCc2ccccc2)CC(O)C(O)C(C(O)C(O)CO)O1Aglycone:
O=COCc1ccccc1.OCC(O)COSugarmoiety:
COC(O)(CO)OOC(O)C(O)COOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.59 |
| AlogP: | -1.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 372.37 | Num_heavy_atoms: | 26 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
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 |
AD00925
Formula: C8H8O2
Smiles:
O=COCc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.12 |
| AlogP: | 1.36 | Num_rotatable_bonds: | 3 |
| MolWt: | 136.15 | Num_heavy_atoms: | 10 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
