Glycoside
GD104422
Name:
2-(4-chloro-3-{[4-(oxolan-3-yloxy)phenyl]methyl}phenyl)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C24H27O7ClSmiles:
OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1OAglycone:
Clc1ccccc1Cc1ccc(OC2CCOC2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 7 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.92 | Num_heavy_atoms: | 31 |
| TPSA: | 108.61 | NumAromaticRings: | 2 |
Unique Aglycone
AD15802
Formula: C18H17O2Cl
Smiles:
Clc1ccccc1Cc1ccc(OC2CCOC2)cc1| HBA: | 2 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.29 |
| AlogP: | 4.1 | Num_rotatable_bonds: | 4 |
| MolWt: | 288.77 | Num_heavy_atoms: | 20 |
| TPSA: | 18.46 | NumAromaticRings: | 2 |
