Glycoside
GD023112
Name:
{3,4,5-trihydroxy-6-[(2-hydroxycyclohexyl)oxy]oxan-2-yl}methyl 4-hydroxybenzoateFormula:
C19H26O9Smiles:
O=C(OC[C@@H]1O[C@H](O[C@@H]2CCCC[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1Aglycone:
COC(=O)c1ccc(O)cc1.OC1CCCCC1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.63 |
| AlogP: | -0.32 | Num_rotatable_bonds: | 5 |
| MolWt: | 398.41 | Num_heavy_atoms: | 28 |
| TPSA: | 145.91 | NumAromaticRings: | 1 |
Unique Aglycone
AD00489
Formula: C6H12O2
Smiles:
OC1CCCCC1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | 0.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 116.16 | Num_heavy_atoms: | 8 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
AD00517
Formula: C8H8O3
Smiles:
COC(=O)c1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
