Glycoside
GD120274
Name:
2-{4-[2-(3,5-dihydroxyphenyl)-5-hydroxy-7-[2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-3-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C40H42O17Smiles:
OCC1OC(Oc2ccc(C=Cc3cc(O)cc4c3OC(c3cc(O)cc(O)c3)C4c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3O)cc2)C(O)C(O)C1OAglycone:
Oc1ccc(C=Cc2cc(O)cc3c2OC(c2cc(O)cc(O)c2)C3c2ccc(O)cc2O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.35 |
| AlogP: | 0.3 | Num_rotatable_bonds: | 10 |
| MolWt: | 794.76 | Num_heavy_atoms: | 57 |
| TPSA: | 288.91 | NumAromaticRings: | 4 |
Unique Aglycone
AD48296
Formula: C28H22O7
Smiles:
Oc1ccc(C=Cc2cc(O)cc3c2OC(c2cc(O)cc(O)c2)C3c2ccc(O)cc2O)cc1| HBA: | 7 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.07 |
| AlogP: | 5.36 | Num_rotatable_bonds: | 4 |
| MolWt: | 470.48 | Num_heavy_atoms: | 35 |
| TPSA: | 130.61 | NumAromaticRings: | 4 |
