Glycoside
GD005142
Name:
PICRASINOSIDE DFormula:
C30H46O12Smiles:
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@H](C)[C@H](OC)[C@H](OC(C)=O)[C@H]([C@@]2(C)C1=O)[C@@]34CAglycone:
COC1=CC(C)C2CC3OC(O)CC4C(C)C(OC)C(OC(C)=O)C(C2(C)C1=O)C34CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 6 |
| MolWt: | 598.69 | Num_heavy_atoms: | 42 |
| TPSA: | 170.44 | NumAromaticRings: | 0 |
Unique Aglycone
AD04398
Formula: C24H36O7
Smiles:
COC1=CC(C)C2CC3OC(O)CC4C(C)C(OC)C(OC(C)=O)C(C2(C)C1=O)C34C| HBA: | 7 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 3 |
| MolWt: | 436.55 | Num_heavy_atoms: | 31 |
| TPSA: | 91.29 | NumAromaticRings: | 0 |
