Glycoside
GD137370
Name:
2-{[3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C34H34O11Smiles:
OCC1OC(Oc2cc(CCc3ccc(O)cc3)c3c(c2)OC(c2ccc(O)cc2)C3c2cc(O)cc(O)c2)C(O)C(O)C1OAglycone:
Oc1ccc(CCc2cc(O)cc3c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O3)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | 2.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 618.64 | Num_heavy_atoms: | 45 |
| TPSA: | 189.53 | NumAromaticRings: | 4 |
Unique Aglycone
AD55501
Formula: C28H24O6
Smiles:
Oc1ccc(CCc2cc(O)cc3c2C(c2cc(O)cc(O)c2)C(c2ccc(O)cc2)O3)cc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.14 |
| AlogP: | 5.27 | Num_rotatable_bonds: | 5 |
| MolWt: | 456.49 | Num_heavy_atoms: | 34 |
| TPSA: | 110.38 | NumAromaticRings: | 4 |
