Glycoside
GD140806
Name:
Picroside IvFormula:
C24H28O12Smiles:
CC12OC1C(O)C1(O)C=COC(OC3OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C(O)C3O)C12Aglycone:
CC12OC1C(O)C1(O)C=COC(O)C12.COC(=O)C=Cc1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.54 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 6 |
| MolWt: | 508.48 | Num_heavy_atoms: | 36 |
| TPSA: | 187.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
AD05723
Formula: C9H12O5
Smiles:
CC12OC1C(O)C1(O)C=COC(O)C12| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | -1.27 | Num_rotatable_bonds: | 0 |
| MolWt: | 200.19 | Num_heavy_atoms: | 14 |
| TPSA: | 82.45 | NumAromaticRings: | 0 |
