Glycoside
GD140879
Name:
4,5-dihydroxy-2-({2-[4-methyl-3-oxo-4-(4-oxopentyl)cyclohexyl]propan-2-yl}oxy)oxan-3-yl acetateFormula:
C22H36O8Smiles:
CC(=O)CCCC1(C)CCC(C(C)(C)OC2OCC(O)C(O)C2OC(C)=O)CC1=OAglycone:
CC(=O)CCCC1(C)CCC(C(C)(C)O)CC1=OSugarmoiety:
CC(=O)OC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.86 |
| AlogP: | 1.93 | Num_rotatable_bonds: | 8 |
| MolWt: | 428.52 | Num_heavy_atoms: | 30 |
| TPSA: | 119.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD56793
Formula: C15H26O3
Smiles:
CC(=O)CCCC1(C)CCC(C(C)(C)O)CC1=O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 2.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 254.37 | Num_heavy_atoms: | 18 |
| TPSA: | 54.37 | NumAromaticRings: | 0 |
