Glycoside
GD141161
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5,6,8a-trimethyl-5-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylateFormula:
C26H38O9Smiles:
CC1CCC2(C)C(C(=O)OC3OC(CO)C(O)C(O)C3O)=CCCC2C1(C)CCC1=CC(=O)OC1Aglycone:
CC1CCC2(C)C(C(=O)O)=CCCC2C1(C)CCC1=CC(=O)OC1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.77 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 6 |
| MolWt: | 494.58 | Num_heavy_atoms: | 35 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD54532
Formula: C20H28O4
Smiles:
CC1CCC2(C)C(C(=O)O)=CCCC2C1(C)CCC1=CC(=O)OC1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 4.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 332.44 | Num_heavy_atoms: | 24 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
