Glycoside
GD011779
Name:
MethoxygaertnerosideFormula:
C27H30O14Smiles:
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1C=C[C@@]21C=C([C@H](O)c2ccc(O)c(OC)c2)C(=O)O1Aglycone:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(O)c2ccc(O)c(OC)c2)C(=O)O1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | -1.31 | Num_rotatable_bonds: | 7 |
| MolWt: | 578.52 | Num_heavy_atoms: | 41 |
| TPSA: | 210.9 | NumAromaticRings: | 1 |
Unique Aglycone
AD04540
Formula: C21H20O9
Smiles:
COC(=O)C1=COC(O)C2C1C=CC21C=C(C(O)c2ccc(O)c(OC)c2)C(=O)O1| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 4 |
| MolWt: | 416.38 | Num_heavy_atoms: | 30 |
| TPSA: | 131.75 | NumAromaticRings: | 1 |
