Glycoside
GD117367
Name:
methyl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoateFormula:
C11H20O8Smiles:
COC(=O)CC(C)OC1OC(CO)C(O)C(O)C1OAglycone:
COC(=O)CC(C)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.91 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 280.27 | Num_heavy_atoms: | 19 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD39069
Formula: C5H10O3
Smiles:
COC(=O)CC(C)O| HBA: | 3 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | -0.07 | Num_rotatable_bonds: | 2 |
| MolWt: | 118.13 | Num_heavy_atoms: | 8 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
