Glycoside
GD004077
Name:
CLOBENOSIDEFormula:
C27H32O6Cl2Smiles:
CCCO[C@@H]1[C@H](O)C(OCC)O[C@H]1[C@H](COCc1ccc(Cl)cc1)OCc1ccc(Cl)cc1Aglycone:
Clc1ccc(COCCOCc2ccc(Cl)cc2)cc1Sugarmoiety:
CCCOC1C(O)OC(OCC)C1OOther Identifiers
Properties
| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.52 |
| AlogP: | 5.01 | Num_rotatable_bonds: | 13 |
| MolWt: | 499.43 | Num_heavy_atoms: | 33 |
| TPSA: | 66.38 | NumAromaticRings: | 2 |
Unique Aglycone
AD03615
Formula: C18H16O2Cl2
Smiles:
Clc1ccc(COCCOCc2ccc(Cl)cc2)cc1| HBA: | 2 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 4.73 | Num_rotatable_bonds: | 7 |
| MolWt: | 311.21 | Num_heavy_atoms: | 20 |
| TPSA: | 18.46 | NumAromaticRings: | 2 |
