Glycoside
GD153103
Name:
methyl 4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoateFormula:
C11H20O9Smiles:
COC(=O)CC(CO)OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)CC(O)COSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 1 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | -3.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 296.27 | Num_heavy_atoms: | 20 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD17684
Formula: C5H10O4
Smiles:
COC(=O)CC(O)CO| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | -1.1 | Num_rotatable_bonds: | 3 |
| MolWt: | 134.13 | Num_heavy_atoms: | 9 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
