Glycoside
GD158236
Name:
{3,4,5-trihydroxy-6-[3-(hydroxymethyl)-5-methoxyphenoxy]oxan-2-yl}methyl 4-hydroxy-3-methoxybenzoateFormula:
C22H26O11Smiles:
COc1cc(CO)cc(OC2OC(COC(=O)c3ccc(O)c(OC)c3)C(O)C(O)C2O)c1Aglycone:
COC(=O)c1ccc(O)c(OC)c1.COc1cc(O)cc(CO)c1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.41 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 8 |
| MolWt: | 466.44 | Num_heavy_atoms: | 33 |
| TPSA: | 164.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD00095
Formula: C9H10O4
Smiles:
COC(=O)c1ccc(O)c(OC)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.22 |
| AlogP: | 1.19 | Num_rotatable_bonds: | 2 |
| MolWt: | 182.17 | Num_heavy_atoms: | 13 |
| TPSA: | 55.76 | NumAromaticRings: | 1 |
AD62483
Formula: C8H10O3
Smiles:
COc1cc(O)cc(CO)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.25 |
| AlogP: | 0.89 | Num_rotatable_bonds: | 2 |
| MolWt: | 154.16 | Num_heavy_atoms: | 11 |
| TPSA: | 49.69 | NumAromaticRings: | 1 |
