Glycoside
GD007592
Name:
PICRASINOSIDE EFormula:
C30H46O13Smiles:
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](OC(C)=O)[C@@H](OC)[C@]4(C)O)[C@@]2(C)C1=OAglycone:
COC1=CC(C)C2CC3OC(O)CC4C(C)(O)C(OC)C(OC(C)=O)C(C2(C)C1=O)C34CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | -0.36 | Num_rotatable_bonds: | 6 |
| MolWt: | 614.69 | Num_heavy_atoms: | 43 |
| TPSA: | 190.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD06162
Formula: C24H36O8
Smiles:
COC1=CC(C)C2CC3OC(O)CC4C(C)(O)C(OC)C(OC(C)=O)C(C2(C)C1=O)C34C| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 1.82 | Num_rotatable_bonds: | 3 |
| MolWt: | 452.54 | Num_heavy_atoms: | 32 |
| TPSA: | 111.52 | NumAromaticRings: | 0 |
