Glycoside
GD124042
Name:
2,3,4-trihydroperoxy-6-(hydroxymethyl)-5-phenoxy-5-(phenylperoxy)oxane-2,3,4-triolFormula:
C18H20O14Smiles:
OCC1OC(O)(OO)C(O)(OO)C(O)(OO)C1(OOc1ccccc1)Oc1ccccc1Aglycone:
OOc1ccccc1.Oc1ccccc1Sugarmoiety:
OCC1OC(O)(OO)C(O)(OO)C(O)(OO)C1(O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.33 |
| AlogP: | -0.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 460.34 | Num_heavy_atoms: | 32 |
| TPSA: | 206.22 | NumAromaticRings: | 2 |
Unique Aglycone
AD01349
Formula: C6H6O
Smiles:
Oc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 0 |
| MolWt: | 94.11 | Num_heavy_atoms: | 7 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD50082
Formula: C6H6O2
Smiles:
OOc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.0 |
| AlogP: | 1.54 | Num_rotatable_bonds: | 1 |
| MolWt: | 110.11 | Num_heavy_atoms: | 8 |
| TPSA: | 29.46 | NumAromaticRings: | 1 |
