Glycoside
GD018955
Name:
PIMENTOLFormula:
C23H26O12Smiles:
C=CCc1cc(OC)c(O)c(O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
C=CCc1cc(O)c(O)c(OC)c1.COC(=O)c1cc(O)c(O)c(O)c1Sugarmoiety:
CO.OC1OOC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.35 |
| AlogP: | 0.29 | Num_rotatable_bonds: | 8 |
| MolWt: | 494.45 | Num_heavy_atoms: | 35 |
| TPSA: | 195.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD00121
Formula: C8H8O5
Smiles:
COC(=O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
AD08364
Formula: C10H12O3
Smiles:
C=CCc1cc(O)c(O)c(OC)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.2 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
