Glycoside
GD089236
Name:
methyl 3-[2-(2-hydroxypropan-2-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzofuran-5-yl]propanoateFormula:
C21H30O10Smiles:
COC(=O)CCc1ccc2c(c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C[C@H](C(C)(C)O)O2Aglycone:
COC(=O)CCc1ccc2c(c1O)CC(C(C)(C)O)O2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.67 |
| AlogP: | -0.95 | Num_rotatable_bonds: | 7 |
| MolWt: | 442.46 | Num_heavy_atoms: | 31 |
| TPSA: | 155.14 | NumAromaticRings: | 1 |
Unique Aglycone
AD38942
Formula: C15H20O5
Smiles:
COC(=O)CCc1ccc2c(c1O)CC(C(C)(C)O)O2| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.53 |
| AlogP: | 1.57 | Num_rotatable_bonds: | 4 |
| MolWt: | 280.32 | Num_heavy_atoms: | 20 |
| TPSA: | 75.99 | NumAromaticRings: | 1 |
