Glycoside
GD020743
Name:
PICRASINOSIDE CFormula:
C28H42O11Smiles:
COC1=C[C@H](C)C2C[C@@H]3O[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C[C@@H]4[C@H](C)[C@@H]5OCO[C@H]5[C@H]([C@@]2(C)C1=O)[C@@]34CAglycone:
COC1=CC(C)C2CC3OC(O)CC4C(C)C5OCOC5C(C2(C)C1=O)C34CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 0.32 | Num_rotatable_bonds: | 4 |
| MolWt: | 554.63 | Num_heavy_atoms: | 39 |
| TPSA: | 153.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD14271
Formula: C22H32O6
Smiles:
COC1=CC(C)C2CC3OC(O)CC4C(C)C5OCOC5C(C2(C)C1=O)C34C| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.86 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 392.49 | Num_heavy_atoms: | 28 |
| TPSA: | 74.22 | NumAromaticRings: | 0 |
