Glycoside
GD138466
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 7-(acetyloxy)-5,6,8a-trimethyl-5-[2-(2-oxo-2,5-dihydrofuran-3-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylateFormula:
C28H40O11Smiles:
CC(=O)OC1CC2(C)C(C(=O)OC3OC(CO)C(O)C(O)C3O)=CCCC2C(C)(CCC2=CCOC2=O)C1CAglycone:
CC(=O)OC1CC2(C)C(C(=O)O)=CCCC2C(C)(CCC2=CCOC2=O)C1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 7 |
| MolWt: | 552.62 | Num_heavy_atoms: | 39 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD49896
Formula: C22H30O6
Smiles:
CC(=O)OC1CC2(C)C(C(=O)O)=CCCC2C(C)(CCC2=CCOC2=O)C1C| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.68 |
| AlogP: | 3.65 | Num_rotatable_bonds: | 5 |
| MolWt: | 390.48 | Num_heavy_atoms: | 28 |
| TPSA: | 89.9 | NumAromaticRings: | 0 |
