Glycoside
GD126355
Name:
(4-hydroxy-8-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7-oxatricyclo[4.3.0.0³,â¹]nonan-9-yl)methyl benzoateFormula:
C22H26O11Smiles:
O=C(OCC12C(=O)OC3CC(O)C1CC32OC1OC(CO)C(O)C(O)C1O)c1ccccc1Aglycone:
O=C(OCC12C(=O)OC3CC(O)C1CC32O)c1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.64 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 466.44 | Num_heavy_atoms: | 33 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD51118
Formula: C16H16O6
Smiles:
O=C(OCC12C(=O)OC3CC(O)C1CC32O)c1ccccc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
