Glycoside
GD111976
Name:
26-DeoxycimicifugosideFormula:
C37H54O10Smiles:
CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC[C@@]1(C)O[C@@H]41Aglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)CC3OC4(CC(C)C3C12C)OCC1(C)OC14Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 9 |
| HBD: | 3 | FractionCSP3: | 0.92 |
| AlogP: | 3.63 | Num_rotatable_bonds: | 3 |
| MolWt: | 658.83 | Num_heavy_atoms: | 47 |
| TPSA: | 136.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD44742
Formula: C32H46O6
Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)CC3OC4(CC(C)C3C12C)OCC1(C)OC14| HBA: | 6 | RingCount: | 8 |
| HBD: | 1 | FractionCSP3: | 0.91 |
| AlogP: | 5.17 | Num_rotatable_bonds: | 1 |
| MolWt: | 526.71 | Num_heavy_atoms: | 38 |
| TPSA: | 77.52 | NumAromaticRings: | 0 |
