Glycoside
GD128386
Name:
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 5-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydronaphthalene-1-carboxylateFormula:
C23H32O9Smiles:
O=C1C=C(CCC2CCCC3C(C(=O)OC4OC(CO)C(O)C(O)C4O)=CCCC23)CO1Aglycone:
O=C1C=C(CCC2CCCC3C(C(=O)O)=CCCC23)CO1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.74 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 6 |
| MolWt: | 452.5 | Num_heavy_atoms: | 32 |
| TPSA: | 142.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD51999
Formula: C17H22O4
Smiles:
O=C1C=C(CCC2CCCC3C(C(=O)O)=CCCC23)CO1| HBA: | 4 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.65 |
| AlogP: | 3.09 | Num_rotatable_bonds: | 4 |
| MolWt: | 290.36 | Num_heavy_atoms: | 21 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
