Glycoside
GD009977
Name:
345-Trimethoxyphenyl-1-O-β-D-(5-O-Syringoyl)-Apiofuranosyl-(1†’6)-β-D-GlucopyranosideFormula:
C29H38O17Smiles:
COc1cc(C(=O)OC[C@]2(O)CO[C@H](OC[C@@H]3O[C@H](Oc4cc(OC)c(OC)c(OC)c4)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)cc(OC)c1OAglycone:
COC(=O)c1cc(OC)c(O)c(OC)c1.COc1cc(O)cc(OC)c1OCSugarmoiety:
OC1OC(COC2OCC(O)(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | -1.06 | Num_rotatable_bonds: | 13 |
| MolWt: | 658.61 | Num_heavy_atoms: | 46 |
| TPSA: | 230.75 | NumAromaticRings: | 2 |
Unique Aglycone
AD00094
Formula: C10H12O5
Smiles:
COC(=O)c1cc(OC)c(O)c(OC)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.3 |
| AlogP: | 1.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 212.2 | Num_heavy_atoms: | 15 |
| TPSA: | 64.99 | NumAromaticRings: | 1 |
AD07763
Formula: C9H12O4
Smiles:
COc1cc(O)cc(OC)c1OC| HBA: | 4 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.33 |
| AlogP: | 1.42 | Num_rotatable_bonds: | 3 |
| MolWt: | 184.19 | Num_heavy_atoms: | 13 |
| TPSA: | 47.92 | NumAromaticRings: | 1 |
