Glycoside
GD157493
Name:
4,5-dihydroxy-2-(hydroxymethyl)-6-[(5-oxooxolan-3-yl)oxy]oxan-3-yl 2-(4-hydroxyphenyl)acetateFormula:
C18H22O10Smiles:
O=C1CC(OC2OC(CO)C(OC(=O)Cc3ccc(O)cc3)C(O)C2O)CO1Aglycone:
O=C(O)Cc1ccc(O)cc1.O=C1CC(O)CO1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.56 |
| AlogP: | -1.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 398.36 | Num_heavy_atoms: | 28 |
| TPSA: | 151.98 | NumAromaticRings: | 1 |
Unique Aglycone
AD05358
Formula: C8H8O3
Smiles:
O=C(O)Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 57.53 | 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 |
