Glycoside
GD013635
Name:
Pseudolaric Acid A O-Beta-D-GlucopyranosideFormula:
C28H38O11Smiles:
CC(=O)O[C@@]12CCC(C)=CC[C@@]13CC[C@H]2[C@@](C)(C=CC=C(C)C(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC3=OAglycone:
CC(=O)OC12CCC(C)=CCC13CCC2C(C)(C=CC=C(C)C(=O)O)OC3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.68 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 6 |
| MolWt: | 550.6 | Num_heavy_atoms: | 39 |
| TPSA: | 169.05 | NumAromaticRings: | 0 |
Unique Aglycone
AD10141
Formula: C22H28O6
Smiles:
CC(=O)OC12CCC(C)=CCC13CCC2C(C)(C=CC=C(C)C(=O)O)OC3=O| HBA: | 6 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.59 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 4 |
| MolWt: | 388.46 | Num_heavy_atoms: | 28 |
| TPSA: | 89.9 | NumAromaticRings: | 0 |
