Glycoside
GD115218
Name:
{3,4,5-trihydroxy-6-[4-(3-oxobutyl)phenoxy]oxan-2-yl}methyl 2,3,4-trihydroxybenzoateFormula:
C23H26O11Smiles:
CC(=O)CCc1ccc(OC2OC(COC(=O)c3ccc(O)c(O)c3O)C(O)C(O)C2O)cc1Aglycone:
CC(=O)CCc1ccc(O)cc1.COC(=O)c1ccc(O)c(O)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.39 |
| AlogP: | 0.37 | Num_rotatable_bonds: | 8 |
| MolWt: | 478.45 | Num_heavy_atoms: | 34 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD06762
Formula: C10H12O2
Smiles:
CC(=O)CCc1ccc(O)cc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 164.2 | Num_heavy_atoms: | 12 |
| TPSA: | 37.3 | NumAromaticRings: | 1 |
AD20802
Formula: C8H8O5
Smiles:
COC(=O)c1ccc(O)c(O)c1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 184.15 | Num_heavy_atoms: | 13 |
| TPSA: | 86.99 | NumAromaticRings: | 1 |
