Glycoside
GD139945
Name:
2-(4-ethylphenoxy)-6-(iodomethyl)oxane-3,4,5-triolFormula:
C14H19O5ISmiles:
CCc1ccc(OC2OC(CI)C(O)C(O)C2O)cc1Aglycone:
CCc1ccc(O)cc1Sugarmoiety:
OC1OC(CI)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.57 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 4 |
| MolWt: | 394.2 | Num_heavy_atoms: | 20 |
| TPSA: | 79.15 | NumAromaticRings: | 1 |
Unique Aglycone
AD40385
Formula: C8H10O
Smiles:
CCc1ccc(O)cc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 1.95 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
