Glycoside
GD117252
Name:
{3,4,5-trihydroxy-6-[(5-oxooxolan-3-yl)oxy]oxan-2-yl}methyl 4-hydroxy-3-methoxybenzoateFormula:
C18H22O11Smiles:
COc1cc(C(=O)OCC2OC(OC3COC(=O)C3)C(O)C(O)C2O)ccc1OAglycone:
COC(=O)c1ccc(O)c(OC)c1.O=C1CC(O)CO1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.3 | Num_rotatable_bonds: | 6 |
| MolWt: | 414.36 | Num_heavy_atoms: | 29 |
| TPSA: | 161.21 | NumAromaticRings: | 1 |
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 |
AD05359
Formula: C4H6O3
Smiles:
O=C1CC(O)CO1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.75 |
| AlogP: | -0.71 | Num_rotatable_bonds: | 0 |
| MolWt: | 102.09 | Num_heavy_atoms: | 7 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
