Glycoside
GD033440
Name:
BRETSCHNEIDEROSIDE AFormula:
C19H26O12Smiles:
COc1cc(C=O)ccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
COc1cc(C=O)ccc1OSugarmoiety:
OCC1(O)COC(OCC2OC(O)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.63 |
| AlogP: | -2.85 | Num_rotatable_bonds: | 8 |
| MolWt: | 446.41 | Num_heavy_atoms: | 31 |
| TPSA: | 184.6 | NumAromaticRings: | 1 |
Unique Aglycone
AD21340
Formula: C8H8O3
Smiles:
COc1cc(C=O)ccc1O| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.12 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.15 | Num_heavy_atoms: | 11 |
| TPSA: | 46.53 | NumAromaticRings: | 1 |
