Glycoside
GD157407
Name:
(5-hydroxy-2-{[5-hydroxy-6-(hydroxymethyl)-3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}phenyl)methyl benzoateFormula:
C27H34O14Smiles:
COC1C(Oc2ccc(O)cc2COC(=O)c2ccccc2)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
O=C(OCc1cc(O)ccc1O)c1ccccc1Sugarmoiety:
COC1C(O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.52 |
| AlogP: | -1.59 | Num_rotatable_bonds: | 10 |
| MolWt: | 582.56 | Num_heavy_atoms: | 41 |
| TPSA: | 214.06 | 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 |
