Glycoside
GD123554
Name:
6-(methoxymethyl)-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0â´,¹¹]undeca-1(10),5-dien-2-oneFormula:
C17H22O10Smiles:
COCC1=CC2OC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C1C32Aglycone:
COCC1=CC2OC(=O)C3=COC(O)C1C32Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.71 |
| AlogP: | -2.21 | Num_rotatable_bonds: | 5 |
| MolWt: | 386.35 | Num_heavy_atoms: | 27 |
| TPSA: | 144.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD49878
Formula: C11H12O5
Smiles:
COCC1=CC2OC(=O)C3=COC(O)C1C32| HBA: | 5 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.55 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 224.21 | Num_heavy_atoms: | 16 |
| TPSA: | 64.99 | NumAromaticRings: | 0 |
