Glycoside
GD140540
Name:
2-{[5,8-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}-4,5-dihydroxyoxan-3-yl sulfonateFormula:
C20H18O12SSmiles:
O=c1cc(-c2ccc(O)cc2)oc2c(O)c(OC3OCC(O)C(O)C3O[SH](=O)=O)cc(O)c12Aglycone:
O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12Sugarmoiety:
O=[SH](=O)OC1C(O)OCC(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.25 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 482.42 | Num_heavy_atoms: | 33 |
| TPSA: | 193.19 | NumAromaticRings: | 3 |
Unique Aglycone
AD06991
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 111.13 | NumAromaticRings: | 3 |
