Glycoside
GD151798
Name:
5-(benzoyloxy)-3,4-dihydroxy-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:
C35H44O12Smiles:
CC(=O)OC1CC2(C)C(C(=O)OC3OC(CO)C(OC(=O)c4ccccc4)C(O)C3O)=CCCC2C(C)(CCC2=CCOC2=O)C1CAglycone:
CC(=O)OC1CC2(C)C(C(=O)O)=CCCC2C(C)(CCC2=CCOC2=O)C1C.O=C(O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.6 |
| AlogP: | 2.78 | Num_rotatable_bonds: | 9 |
| MolWt: | 656.73 | Num_heavy_atoms: | 47 |
| TPSA: | 175.12 | NumAromaticRings: | 1 |
Unique Aglycone
AD00002
Formula: C7H6O2
Smiles:
O=C(O)c1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 122.12 | Num_heavy_atoms: | 9 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
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 |
