Glycoside
GD118776
Name:
{2-oxo-8-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-3,9-dioxatricyclo[5.3.1.0â´,¹¹]undeca-1(10),5-dien-6-yl}methyl acetateFormula:
C18H22O11Smiles:
CC(=O)OCC1=CC2OC(=O)C3=COC(OCC4OC(O)C(O)C(O)C4O)C1C32Aglycone:
COC1OC=C2C(=O)OC3C=C(COC(C)=O)C1C23Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.67 |
| AlogP: | -2.3 | Num_rotatable_bonds: | 5 |
| MolWt: | 414.36 | Num_heavy_atoms: | 29 |
| TPSA: | 161.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD47522
Formula: C13H14O6
Smiles:
COC1OC=C2C(=O)OC3C=C(COC(C)=O)C1C23| HBA: | 6 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.54 |
| AlogP: | 0.53 | Num_rotatable_bonds: | 3 |
| MolWt: | 266.25 | Num_heavy_atoms: | 19 |
| TPSA: | 71.06 | NumAromaticRings: | 0 |
