Glycoside
GD155497
Name:
2,4,6-trihydroxy-3,5-dimethoxycyclohexyl 3,5-bis(3-methylbut-2-en-1-yl)-4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]benzoateFormula:
C36H54O17Smiles:
COC1C(O)C(OC)C(O)C(OC(=O)c2cc(CC=C(C)C)c(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)c(CC=C(C)C)c2)C1OAglycone:
COC1C(O)C(OC)C(O)C(OC(=O)c2cc(CC=C(C)C)c(O)c(CC=C(C)C)c2)C1OSugarmoiety:
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.69 |
| AlogP: | -2.0 | Num_rotatable_bonds: | 13 |
| MolWt: | 758.81 | Num_heavy_atoms: | 53 |
| TPSA: | 263.75 | NumAromaticRings: | 1 |
Unique Aglycone
AD61685
Formula: C25H36O8
Smiles:
COC1C(O)C(OC)C(O)C(OC(=O)c2cc(CC=C(C)C)c(O)c(CC=C(C)C)c2)C1O| HBA: | 8 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | 2.06 | Num_rotatable_bonds: | 8 |
| MolWt: | 464.56 | Num_heavy_atoms: | 33 |
| TPSA: | 125.68 | NumAromaticRings: | 1 |
