Glycoside
GD129249
Name:
{3,4,5-trihydroxy-6-[(5-oxooxolan-3-yl)oxy]oxan-2-yl}methyl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C19H22O10Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(OC2COC(=O)C2)C(O)C(O)C1OAglycone:
COC(=O)C=Cc1ccc(O)cc1.O=C1CC(O)CO1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.47 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 6 |
| MolWt: | 410.38 | Num_heavy_atoms: | 29 |
| TPSA: | 151.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD00020
Formula: C10H10O3
Smiles:
COC(=O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.58 | Num_rotatable_bonds: | 2 |
| MolWt: | 178.19 | Num_heavy_atoms: | 13 |
| TPSA: | 46.53 | 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 |
