Glycoside
GD005640
Name:
{3-[2-(4-hydroxyphenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl}oxidanesulfonic acidFormula:
C20H22O11SSmiles:
O=S(=O)(O)Oc1cc(C=Cc2ccc(O)cc2)cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1Aglycone:
O=S(=O)(O)Oc1cc(O)cc(C=Cc2ccc(O)cc2)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.3 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 7 |
| MolWt: | 470.45 | Num_heavy_atoms: | 32 |
| TPSA: | 183.21 | NumAromaticRings: | 2 |
Unique Aglycone
AD04762
Formula: C14H12O6S
Smiles:
O=S(=O)(O)Oc1cc(O)cc(C=Cc2ccc(O)cc2)c1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 4 |
| MolWt: | 308.31 | Num_heavy_atoms: | 21 |
| TPSA: | 104.06 | NumAromaticRings: | 2 |
