Glycoside
GD026520
Name:
PICRASINOSIDE GFormula:
C28H44O12Smiles:
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]4[C@]3(C)[C@H]([C@@H](O)[C@@H](OC)[C@]4(C)O)[C@@]2(C)C1=OAglycone:
COC1=CC(C)C2CC3OC(O)CC4C(C)(O)C(OC)C(O)C(C2(C)C1=O)C34CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | -0.93 | Num_rotatable_bonds: | 5 |
| MolWt: | 572.65 | Num_heavy_atoms: | 40 |
| TPSA: | 184.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD17473
Formula: C22H34O7
Smiles:
COC1=CC(C)C2CC3OC(O)CC4C(C)(O)C(OC)C(O)C(C2(C)C1=O)C34C| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.86 |
| AlogP: | 1.25 | Num_rotatable_bonds: | 2 |
| MolWt: | 410.51 | Num_heavy_atoms: | 29 |
| TPSA: | 105.45 | NumAromaticRings: | 0 |
