Glycoside
GD121591
Name:
8-ethylidene-17-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-15-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-2,6,12-trioxatricyclo[12.2.1.0â´,â¹]heptadec-4-ene-3,11-dioneFormula:
C32H48O17Smiles:
CC=C1C(OC2OC(CO)C(O)C(O)C2O)OC=C2C(=O)OC3CC(C(C)COC4OC(CO)C(O)C(O)C4O)C(COC(=O)CC21)C3CAglycone:
CC=C1C(O)OC=C2C(=O)OC3CC(C(C)CO)C(COC(=O)CC21)C3CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.81 |
| AlogP: | -2.81 | Num_rotatable_bonds: | 8 |
| MolWt: | 704.72 | Num_heavy_atoms: | 49 |
| TPSA: | 260.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD48956
Formula: C20H28O7
Smiles:
CC=C1C(O)OC=C2C(=O)OC3CC(C(C)CO)C(COC(=O)CC21)C3C| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.7 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 2 |
| MolWt: | 380.44 | Num_heavy_atoms: | 27 |
| TPSA: | 102.29 | NumAromaticRings: | 0 |
