Glycoside
GD020914
Name:
PICRASINOSIDE BFormula:
C28H40O11Smiles:
COC1=C[C@H](C)[C@@H]2C[C@@H]3O[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C[C@@H]4C(C)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@]34CAglycone:
COC1=CC(C)C2CC3OC(O)CC4C(C)=C(OC)C(=O)C(C2(C)C1=O)C34CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 0.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 552.62 | Num_heavy_atoms: | 39 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD14360
Formula: C22H30O6
Smiles:
COC1=CC(C)C2CC3OC(O)CC4C(C)=C(OC)C(=O)C(C2(C)C1=O)C34C| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.73 |
| AlogP: | 2.61 | Num_rotatable_bonds: | 2 |
| MolWt: | 390.48 | Num_heavy_atoms: | 28 |
| TPSA: | 82.06 | NumAromaticRings: | 0 |
