Glycoside
GD126774
Name:
2-(hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-5-yl 8-hydroxy-2,6-dimethylocta-2,6-dienoateFormula:
C25H36O12Smiles:
CC(=CCO)CCC=C(C)C(=O)OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12Aglycone:
CC(=CCO)CCC=C(C)C(=O)OC1C2C=COC(O)C2C2(CO)OC12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.72 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 10 |
| MolWt: | 528.55 | Num_heavy_atoms: | 37 |
| TPSA: | 187.9 | NumAromaticRings: | 0 |
Unique Aglycone
AD51308
Formula: C19H26O7
Smiles:
CC(=CCO)CCC=C(C)C(=O)OC1C2C=COC(O)C2C2(CO)OC12| HBA: | 7 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.63 |
| AlogP: | 0.8 | Num_rotatable_bonds: | 7 |
| MolWt: | 366.41 | Num_heavy_atoms: | 26 |
| TPSA: | 108.75 | NumAromaticRings: | 0 |
