Glycoside
GD154018
Name:
{3-hydroxy-8-oxo-4-[(3,4,5,6-tetrahydroxyoxan-2-yl)oxy]-5-oxatricyclo[4.2.1.0³,â¹]nonan-9-yl}methyl benzoateFormula:
C21H24O11Smiles:
O=C(OCC12C3CC(=O)C1CC2(O)C(OC1OC(O)C(O)C(O)C1O)O3)c1ccccc1Aglycone:
O=C(OCC12C3CC(=O)C1CC2(O)C(O)O3)c1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.62 |
| AlogP: | -1.95 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.41 | Num_heavy_atoms: | 32 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD61213
Formula: C16H16O6
Smiles:
O=C(OCC12C3CC(=O)C1CC2(O)C(O)O3)c1ccccc1| HBA: | 6 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.27 | Num_rotatable_bonds: | 3 |
| MolWt: | 304.3 | Num_heavy_atoms: | 22 |
| TPSA: | 93.06 | NumAromaticRings: | 1 |
