Glycoside
GD126280
Name:
7-hydroperoxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C21H20O11Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(OO)cc(OC3OC(CO)C(O)C(O)C3O)c12Aglycone:
O=c1cc(-c2ccc(O)cc2)oc2cc(OO)cc(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.29 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 5 |
| MolWt: | 448.38 | Num_heavy_atoms: | 32 |
| TPSA: | 179.28 | NumAromaticRings: | 3 |
Unique Aglycone
AD51087
Formula: C15H10O6
Smiles:
O=c1cc(-c2ccc(O)cc2)oc2cc(OO)cc(O)c12| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 2.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 286.24 | Num_heavy_atoms: | 21 |
| TPSA: | 100.13 | NumAromaticRings: | 3 |
