Glycoside
GD120006
Name:
2-(3,4-dihydroxyphenyl)-7-hydroperoxy-5-hydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-oneFormula:
C21H20O13Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OO)c(OC3OC(CO)C(O)C(O)C3O)c(O)c12Aglycone:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OO)c(O)c(O)c12Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.29 |
| AlogP: | -0.39 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.38 | Num_heavy_atoms: | 34 |
| TPSA: | 219.74 | NumAromaticRings: | 3 |
Unique Aglycone
AD48161
Formula: C15H10O8
Smiles:
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OO)c(O)c(O)c12| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.0 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 2 |
| MolWt: | 318.24 | Num_heavy_atoms: | 23 |
| TPSA: | 140.59 | NumAromaticRings: | 3 |
