Glycoside
GD020309
Name:
TrachelosideFormula:
C27H34O12Smiles:
COc1ccc(C[C@@H]2COC(=O)[C@@]2(O)Cc2ccc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OCAglycone:
COc1cc(CC2(O)C(=O)OCC2Cc2ccc(OC)c(OC)c2)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.52 |
| AlogP: | -0.42 | Num_rotatable_bonds: | 10 |
| MolWt: | 550.56 | Num_heavy_atoms: | 39 |
| TPSA: | 173.6 | NumAromaticRings: | 2 |
Unique Aglycone
AD14041
Formula: C21H24O7
Smiles:
COc1cc(CC2(O)C(=O)OCC2Cc2ccc(OC)c(OC)c2)ccc1O| HBA: | 7 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.38 |
| AlogP: | 2.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 388.42 | Num_heavy_atoms: | 28 |
| TPSA: | 94.45 | NumAromaticRings: | 2 |
