Glycoside
GD007909
Name:
PICRASINOSIDE HFormula:
C30H44O13Smiles:
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]3OCO[C@H]3[C@]4(C)OC(C)=O)[C@@]2(C)C1=OAglycone:
COC1=CC(C)C2CC3OC(O)CC4C(C)(OC(C)=O)C5OCOC5C(C2(C)C1=O)C34CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 612.67 | Num_heavy_atoms: | 43 |
| TPSA: | 179.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD06383
Formula: C24H34O8
Smiles:
COC1=CC(C)C2CC3OC(O)CC4C(C)(OC(C)=O)C5OCOC5C(C2(C)C1=O)C34C| HBA: | 8 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 2.18 | Num_rotatable_bonds: | 2 |
| MolWt: | 450.53 | Num_heavy_atoms: | 32 |
| TPSA: | 100.52 | NumAromaticRings: | 0 |
