Glycoside
GD114992
Name:
(5-hydroxy-2-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)methyl benzoateFormula:
C26H32O14Smiles:
O=C(OCc1cc(O)ccc1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)c1ccccc1Aglycone:
O=C(OCc1cc(O)ccc1O)c1ccccc1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -2.25 | Num_rotatable_bonds: | 9 |
| MolWt: | 568.53 | Num_heavy_atoms: | 40 |
| TPSA: | 225.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD08042
Formula: C14H12O4
Smiles:
O=C(OCc1cc(O)ccc1O)c1ccccc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.07 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 3 |
| MolWt: | 244.25 | Num_heavy_atoms: | 18 |
| TPSA: | 66.76 | NumAromaticRings: | 2 |
