Glycoside
GD013847
Name:
BRETSCHNEIDEROSIDE BFormula:
C18H24O12Smiles:
O=Cc1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c(O)c1Aglycone:
O=Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.61 |
| AlogP: | -3.15 | Num_rotatable_bonds: | 7 |
| MolWt: | 432.38 | Num_heavy_atoms: | 30 |
| TPSA: | 195.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD07185
Formula: C7H6O3
Smiles:
O=Cc1ccc(O)c(O)c1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 1 |
| MolWt: | 138.12 | Num_heavy_atoms: | 10 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
