Glycoside
GD139736
Name:
{3,4,5-trihydroxy-6-[(4-oxopentan-2-yl)oxy]oxan-2-yl}methyl 3-(2,3-dihydroxyphenyl)prop-2-enoateFormula:
C20H26O10Smiles:
CC(=O)CC(C)OC1OC(COC(=O)C=Cc2cccc(O)c2O)C(O)C(O)C1OAglycone:
CC(=O)CC(C)O.COC(=O)C=Cc1cccc(O)c1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -0.15 | Num_rotatable_bonds: | 8 |
| MolWt: | 426.42 | Num_heavy_atoms: | 30 |
| TPSA: | 162.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD54515
Formula: C5H10O2
Smiles:
CC(=O)CC(C)O| HBA: | 2 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 0.8 |
| AlogP: | 0.35 | Num_rotatable_bonds: | 2 |
| MolWt: | 102.13 | Num_heavy_atoms: | 7 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
AD56348
Formula: C10H10O4
Smiles:
COC(=O)C=Cc1cccc(O)c1O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 194.19 | Num_heavy_atoms: | 14 |
| TPSA: | 66.76 | NumAromaticRings: | 1 |
