Glycoside
GD128945
Name:
(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoateFormula:
C26H32O14Smiles:
O=C(OCc1ccccc1OC1OC(CO)C(O)C(O)C1O)c1ccccc1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(OCc1ccccc1O)c1ccccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.5 |
| AlogP: | -2.6 | Num_rotatable_bonds: | 9 |
| MolWt: | 568.53 | Num_heavy_atoms: | 40 |
| TPSA: | 225.06 | NumAromaticRings: | 2 |
Unique Aglycone
AD52228
Formula: C14H12O4
Smiles:
O=C(OCc1ccccc1O)c1ccccc1O| 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 |
