Glycoside
GD125455
Name:
benzyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C20H22O8Smiles:
O=C(OCc1ccccc1)c1ccccc1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(OCc1ccccc1)c1ccccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.35 |
| AlogP: | 0.22 | Num_rotatable_bonds: | 6 |
| MolWt: | 390.39 | Num_heavy_atoms: | 28 |
| TPSA: | 125.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD45249
Formula: C14H12O3
Smiles:
O=C(OCc1ccccc1)c1ccccc1O| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.07 |
| AlogP: | 2.75 | Num_rotatable_bonds: | 3 |
| MolWt: | 228.25 | Num_heavy_atoms: | 17 |
| TPSA: | 46.53 | NumAromaticRings: | 2 |
