Glycoside
GD001103
Name:
Picriside BFormula:
C21H30O8Smiles:
C=C1C(=O)O[C@@H]2C=C(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CCC=C(C)CC[C@H]12Aglycone:
C=C1C(=O)OC2C=C(CO)CCC=C(C)CCC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 4 |
| MolWt: | 410.46 | Num_heavy_atoms: | 29 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD01148
Formula: C15H20O3
Smiles:
C=C1C(=O)OC2C=C(CO)CCC=C(C)CCC12| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.53 |
| AlogP: | 2.52 | Num_rotatable_bonds: | 1 |
| MolWt: | 248.32 | Num_heavy_atoms: | 18 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
