Glycoside
GD121754
Name:
2-(hydroxymethyl)-6-{[4-(4-methoxyphenyl)butan-2-yl]oxy}oxane-3,4,5-triolFormula:
C17H26O7Smiles:
COc1ccc(CCC(C)OC2OC(CO)C(O)C(O)C2O)cc1Aglycone:
COc1ccc(CCC(C)O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.65 |
| AlogP: | -0.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 342.39 | Num_heavy_atoms: | 24 |
| TPSA: | 108.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD49023
Formula: C11H16O2
Smiles:
COc1ccc(CCC(C)O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.45 |
| AlogP: | 2.01 | Num_rotatable_bonds: | 4 |
| MolWt: | 180.25 | Num_heavy_atoms: | 13 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
