Glycoside
GD134888
Name:
2-[3-(2-hydroxyethyl)-5-methylphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C15H22O7Smiles:
Cc1cc(CCO)cc(OC2OC(CO)C(O)C(O)C2O)c1Aglycone:
Cc1cc(O)cc(CCO)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -1.29 | Num_rotatable_bonds: | 5 |
| MolWt: | 314.33 | Num_heavy_atoms: | 22 |
| TPSA: | 119.61 | NumAromaticRings: | 1 |
Unique Aglycone
AD54565
Formula: C9H12O2
Smiles:
Cc1cc(O)cc(CCO)c1| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.33 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.19 | Num_heavy_atoms: | 11 |
| TPSA: | 40.46 | NumAromaticRings: | 1 |
