Glycoside
GD120698
Name:
(10-{[4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-yl]oxy}-5-hydroxy-3,9-dioxatricyclo[4.4.0.0²,â´]dec-7-en-2-yl)methyl 3,4-dimethoxybenzoateFormula:
C25H32O13Smiles:
COc1ccc(C(=O)OCC23OC2C(O)C2C=COC(OC4OC(CO)C(O)C(O)C4OC)C23)cc1OCAglycone:
COc1ccc(C(=O)OCC23OC2C(O)C2C=COC(O)C23)cc1OCSugarmoiety:
COC1C(O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | -1.05 | Num_rotatable_bonds: | 9 |
| MolWt: | 540.52 | Num_heavy_atoms: | 38 |
| TPSA: | 175.13 | NumAromaticRings: | 1 |
Unique Aglycone
AD48516
Formula: C18H20O8
Smiles:
COc1ccc(C(=O)OCC23OC2C(O)C2C=COC(O)C23)cc1OC| HBA: | 8 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 5 |
| MolWt: | 364.35 | Num_heavy_atoms: | 26 |
| TPSA: | 106.98 | NumAromaticRings: | 1 |
