Glycoside
GD141477
Name:
2-[4-(hexyloxy)phenoxy]-6-(iodomethyl)oxane-3,4,5-triolFormula:
C18H27O6ISmiles:
CCCCCCOc1ccc(OC2OC(CI)C(O)C(O)C2O)cc1Aglycone:
CCCCCCOc1ccc(O)cc1Sugarmoiety:
OC1OC(CI)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.67 |
| AlogP: | 2.27 | Num_rotatable_bonds: | 9 |
| MolWt: | 466.31 | Num_heavy_atoms: | 25 |
| TPSA: | 88.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD33174
Formula: C12H18O2
Smiles:
CCCCCCOc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 194.27 | Num_heavy_atoms: | 14 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
