Glycoside
GD141751
Name:
4,5-bis(acetyloxy)-2-(iodomethyl)-6-(4-methoxyphenoxy)oxan-3-yl acetateFormula:
C19H23O9ISmiles:
COc1ccc(OC2OC(CI)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cc1Aglycone:
COc1ccc(O)cc1Sugarmoiety:
CC(=O)OC1C(O)OC(CI)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.53 |
| AlogP: | 2.03 | Num_rotatable_bonds: | 7 |
| MolWt: | 522.29 | Num_heavy_atoms: | 29 |
| TPSA: | 106.59 | NumAromaticRings: | 1 |
Unique Aglycone
AD01111
Formula: C7H8O2
Smiles:
COc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.4 | Num_rotatable_bonds: | 1 |
| MolWt: | 124.14 | Num_heavy_atoms: | 9 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
