Glycoside
GD135442
Name:
(2-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0â´,¹¹]undeca-1(10),5-dien-6-yl)methyl benzoateFormula:
C23H24O11Smiles:
O=C1OC2C=C(COC(=O)c3ccccc3)C3C(OC4OC(CO)C(O)C(O)C4O)OC=C1C23Aglycone:
O=C1OC2C=C(COC(=O)c3ccccc3)C3C(O)OC=C1C23Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.48 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 6 |
| MolWt: | 476.43 | Num_heavy_atoms: | 34 |
| TPSA: | 161.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD54764
Formula: C17H14O6
Smiles:
O=C1OC2C=C(COC(=O)c3ccccc3)C3C(O)OC=C1C23| HBA: | 6 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.29 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 3 |
| MolWt: | 314.29 | Num_heavy_atoms: | 23 |
| TPSA: | 82.06 | NumAromaticRings: | 1 |
