Glycoside
GD132741
Name:
2-{[3-(3,5-dihydroxyphenyl)-4-[6-hydroxy-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C48H42O14Smiles:
OCC1OC(Oc2cc3c(c(C4c5c(C=Cc6ccc(O)cc6)cc(O)cc5OC4c4ccc(O)cc4)c2)C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O3)C(O)C(O)C1OAglycone:
Oc1ccc(C=Cc2cc(O)cc3c2C(c2cc(O)cc4c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O4)C(c2ccc(O)cc2)O3)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.21 |
| AlogP: | 5.8 | Num_rotatable_bonds: | 9 |
| MolWt: | 842.85 | Num_heavy_atoms: | 62 |
| TPSA: | 239.22 | NumAromaticRings: | 6 |
Unique Aglycone
AD49160
Formula: C42H32O9
Smiles:
Oc1ccc(C=Cc2cc(O)cc3c2C(c2cc(O)cc4c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O4)C(c2ccc(O)cc2)O3)cc1| HBA: | 9 | RingCount: | 8 |
| HBD: | 7 | FractionCSP3: | 0.1 |
| AlogP: | 8.33 | Num_rotatable_bonds: | 6 |
| MolWt: | 680.71 | Num_heavy_atoms: | 51 |
| TPSA: | 160.07 | NumAromaticRings: | 6 |
