Glycoside
GD138049
Name:
2-{[3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C34H30O11Smiles:
OCC1OC(Oc2cc(C=Cc3ccc(O)cc3)cc3oc(-c4ccc(O)cc4)c(-c4cc(O)cc(O)c4)c23)C(O)C(O)C1OAglycone:
Oc1ccc(C=Cc2cc(O)c3c(-c4cc(O)cc(O)c4)c(-c4ccc(O)cc4)oc3c2)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.18 |
| AlogP: | 3.94 | Num_rotatable_bonds: | 7 |
| MolWt: | 614.6 | Num_heavy_atoms: | 45 |
| TPSA: | 193.44 | NumAromaticRings: | 5 |
Unique Aglycone
AD46753
Formula: C28H20O6
Smiles:
Oc1ccc(C=Cc2cc(O)c3c(-c4cc(O)cc(O)c4)c(-c4ccc(O)cc4)oc3c2)cc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 6.47 | Num_rotatable_bonds: | 4 |
| MolWt: | 452.46 | Num_heavy_atoms: | 34 |
| TPSA: | 114.29 | NumAromaticRings: | 5 |
