Glycoside
GD007922
Name:
2-{5-[2-(3,5-dihydroxyphenyl)ethyl]-2-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C20H24O9Smiles:
OC[C@@H]1O[C@H](Oc2cc(CCc3cc(O)cc(O)c3)ccc2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
Oc1cc(O)cc(CCc2ccc(O)c(O)c2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.4 |
| AlogP: | -0.23 | Num_rotatable_bonds: | 6 |
| MolWt: | 408.4 | Num_heavy_atoms: | 29 |
| TPSA: | 160.07 | NumAromaticRings: | 2 |
Unique Aglycone
AD06392
Formula: C14H14O4
Smiles:
Oc1cc(O)cc(CCc2ccc(O)c(O)c2)c1| HBA: | 4 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.14 |
| AlogP: | 2.29 | Num_rotatable_bonds: | 3 |
| MolWt: | 246.26 | Num_heavy_atoms: | 18 |
| TPSA: | 80.92 | NumAromaticRings: | 2 |
