Glycoside
GD145581
Name:
{3,4,5-trihydroxy-6-[2-hydroxy-4-(3-oxobutyl)phenoxy]oxan-2-yl}methyl 4-hydroxybenzoateFormula:
C23H26O10Smiles:
CC(=O)CCc1ccc(OC2OC(COC(=O)c3ccc(O)cc3)C(O)C(O)C2O)c(O)c1Aglycone:
CC(=O)CCc1ccc(O)c(O)c1.COC(=O)c1ccc(O)cc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.39 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 8 |
| MolWt: | 462.45 | Num_heavy_atoms: | 33 |
| TPSA: | 162.98 | NumAromaticRings: | 2 |
Unique Aglycone
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 |
AD46493
Formula: C10H12O3
Smiles:
CC(=O)CCc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.3 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 180.2 | Num_heavy_atoms: | 13 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
