Glycoside
GD132680
Name:
2,3,4-trihydroperoxy-6-(hydroxymethyl)-6-phenoxy-5-(phenylperoxy)-2-(3,4,5-trihydroxybenzoyl)oxane-3,4,5-triolFormula:
C25H24O18Smiles:
O=C(c1cc(O)c(O)c(O)c1)C1(OO)OC(CO)(Oc2ccccc2)C(O)(OOc2ccccc2)C(O)(OO)C1(O)OOAglycone:
O=Cc1cc(O)c(O)c(O)c1.OOc1ccccc1.Oc1ccccc1Sugarmoiety:
OCC1(O)OC(O)(OO)C(O)(OO)C(O)(OO)C1(O)OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.24 |
| AlogP: | 0.03 | Num_rotatable_bonds: | 11 |
| MolWt: | 612.45 | Num_heavy_atoms: | 43 |
| TPSA: | 283.98 | NumAromaticRings: | 3 |
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 |
AD02035
Formula: C7H6O4
Smiles:
O=Cc1cc(O)c(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 0.62 | Num_rotatable_bonds: | 1 |
| MolWt: | 154.12 | Num_heavy_atoms: | 11 |
| TPSA: | 77.76 | 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 |
